(2R,7R)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene

C13H14N2O — CID 22813385

IUPAC(2R,7R)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
SMILESc1cc2c3c(c[nH]c3c1)C[C@H]1NCCO[C@H]21
InChIInChI=1S/C13H14N2O/c1-2-9-12-8(7-15-10(12)3-1)6-11-13(9)16-5-4-14-11/h1-3,7,11,13-15H,4-6H2/t11-,13-/m1/s1
InChIKeyVHGCBDMLWAGBAP-DGCLKSJQSA-N
MW214.27 g/mol
LogP1.75
Rot. Bonds

About (2R,7R)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene

(2R,7R)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene (PubChem CID 22813385) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (2R,7R)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene.

Molecular Properties

Compound Name(2R,7R)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
PubChem CID22813385
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(2R,7R)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
SMILESc1cc2c3c(c[nH]c3c1)C[C@H]1NCCO[C@H]21
InChIInChI=1S/C13H14N2O/c1-2-9-12-8(7-15-10(12)3-1)6-11-13(9)16-5-4-14-11/h1-3,7,11,13-15H,4-6H2/t11-,13-/m1/s1
InChIKeyVHGCBDMLWAGBAP-DGCLKSJQSA-N
XLogP1.75
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,7R)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene with MolForge

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Related Compounds

Fumigaclavine B
CID 21589072
(7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-10-yl) acetate
CID 12309935
(-)-Fumigaclavine B
CID 12309937
CID 22813388
CID 22813388
Fumigaclavine A
CID 5324492
(2R,7R)-10-bromo-6-propyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
CID 3067246
CID 14254830
CID 14254830
trans-4,6,6a,8,9,10a-Hexahydro-7-methyl-7H-indolo-[3,4 gh]-[1.4]-benzoxazine
CID 22813386
trans-4,6,6a,8,9,10a-hexahydro-7-n-butyl-7H-indolo-[3,4 gh]-[1,4]-benzoxazine
CID 22813387
Ergoline-8-beta-methanol, 1,6-dimethyl-10-methoxy-
CID 198149
(7R)-6-phenyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
CID 44288156
(2R,7R)-6-prop-2-enyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
CID 44347069

Frequently Asked Questions

What is the IUPAC name of (2R,7R)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene?
The IUPAC name of (2R,7R)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene (CID 22813385) is (2R,7R)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene.
What is the SMILES notation for (2R,7R)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene?
The canonical SMILES for (2R,7R)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene is c1cc2c3c(c[nH]c3c1)C[C@H]1NCCO[C@H]21.
What is the InChIKey of (2R,7R)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene?
The InChIKey is VHGCBDMLWAGBAP-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-9-12-8(7-15-10(12)3-1)6-11-13(9)16-5-4-14-11/h1-3,7,11,13-15H,4-6H2/t11-,13-/m1/s1.
What are the key properties of (2R,7R)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene?
(2R,7R)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene has a molecular weight of 214.27 g/mol, XLogP of 1.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7R)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene is sourced from PubChem (CID 22813385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).