10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene

C13H18N2O — CID 146477407

IUPAC10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
SMILESCC(C)c1ccnc2c1OCC1CCCN21
InChIInChI=1S/C13H18N2O/c1-9(2)11-5-6-14-13-12(11)16-8-10-4-3-7-15(10)13/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyOMCALEABJJWJLJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.57
Rot. Bonds1

About 10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene

10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene (PubChem CID 146477407) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene.

Molecular Properties

Compound Name10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
PubChem CID146477407
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
SMILESCC(C)c1ccnc2c1OCC1CCCN21
InChIInChI=1S/C13H18N2O/c1-9(2)11-5-6-14-13-12(11)16-8-10-4-3-7-15(10)13/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyOMCALEABJJWJLJ-UHFFFAOYSA-N
XLogP2.57
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-fluoro-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
CID 146510454
4-(2-methoxyethoxy)-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
CID 146510472
(6S)-4,4-difluoro-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene;(4S,6S)-4-fluoro-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene;(4R,6R)-4-fluoro-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene;(4S,6S)-4-methyl-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene;(4R,6R)-4-methyl-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene;(6S)-6-methyl-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene;(6R)-6-methyl-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene;(6S)-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene;(6R)-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene;(4S,6S)-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-4-ol;(4R,6R)-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-4-ol
CID 158384697
6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-oxocino[2,3-b]pyridine
CID 170669183
4-ethyl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine
CID 166881378
[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-[[(6S)-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-10-yl]sulfanyl]pyrazin-2-yl]methyl formate
CID 146472685
5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3-thione
CID 588541
4-methoxy-10-methyl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
CID 146477744
14-(trifluoromethyl)-9-oxa-2,11,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),10,12(17),13,15-pentaene
CID 12568859
(6R)-11-(2-amino-7-fluoro-3-isocyano-1-benzothiophen-4-yl)-10-fluoro-14-(4-methyl-2-propan-2-yl-3-pyridinyl)-8-oxa-2,12,14,16-tetrazatetracyclo[7.7.1.02,6.013,17]heptadeca-1(16),9(17),10,12-tetraen-15-one
CID 171756086
1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine
CID 130211179
(4S,6S)-10-methyl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene-4-carbonitrile
CID 146510522

Frequently Asked Questions

What is the IUPAC name of 10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene?
The IUPAC name of 10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene (CID 146477407) is 10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene.
What is the SMILES notation for 10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene?
The canonical SMILES for 10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene is CC(C)c1ccnc2c1OCC1CCCN21.
What is the InChIKey of 10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene?
The InChIKey is OMCALEABJJWJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(2)11-5-6-14-13-12(11)16-8-10-4-3-7-15(10)13/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene?
10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene has a molecular weight of 218.30 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene is sourced from PubChem (CID 146477407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).