1,5-dihydropyrrolo[2,3-b]azepine;ethane

C10H14N2 — CID 143713059

IUPAC1,5-dihydropyrrolo[2,3-b]azepine;ethane
SMILESC1=CN=c2[nH]ccc2=CC1.CC
InChIInChI=1S/C8H8N2.C2H6/c1-2-5-9-8-7(3-1)4-6-10-8;1-2/h2-6H,1H2,(H,9,10);1-2H3
InChIKeyCJZMAVCCEAIKBP-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.36
Rot. Bonds

About 1,5-dihydropyrrolo[2,3-b]azepine;ethane

1,5-dihydropyrrolo[2,3-b]azepine;ethane (PubChem CID 143713059) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1,5-dihydropyrrolo[2,3-b]azepine;ethane.

Molecular Properties

Compound Name1,5-dihydropyrrolo[2,3-b]azepine;ethane
PubChem CID143713059
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1,5-dihydropyrrolo[2,3-b]azepine;ethane
SMILESC1=CN=c2[nH]ccc2=CC1.CC
InChIInChI=1S/C8H8N2.C2H6/c1-2-5-9-8-7(3-1)4-6-10-8;1-2/h2-6H,1H2,(H,9,10);1-2H3
InChIKeyCJZMAVCCEAIKBP-UHFFFAOYSA-N
XLogP1.36
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 70639991
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(3Z)-3-ethylidene-N-(fluoromethyl)-1H-pyrrol-2-imine
CID 173891209
N-[(E)-2-fluoroprop-1-enyl]-3-methylidene-1H-pyrrol-2-imine
CID 145149501
(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine
CID 89289290
6-ethenyl-3-methylidene-5-N-propan-2-ylazepine-2,5-diamine
CID 90126466
8-methyl-4H-cyclopenta[c][1,8]naphthyridine
CID 91205102
(3Z)-3-[(Z)-2-methylbut-2-enylidene]pyrrol-2-amine
CID 118474874
(3Z)-N-ethenyl-3-hexan-2-ylidenepyrrol-2-amine
CID 118900424
(2E,3Z)-2-ethylidene-N,N',5-trimethylhexa-3,5-dienimidamide
CID 123185969
2-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazacyclohepta-2,5,6-triene
CID 123196788
4-Chloro-6-ethyl-1,5-dihydropyrrolo[2,3-b]azepine
CID 123414169

Frequently Asked Questions

What is the IUPAC name of 1,5-dihydropyrrolo[2,3-b]azepine;ethane?
The IUPAC name of 1,5-dihydropyrrolo[2,3-b]azepine;ethane (CID 143713059) is 1,5-dihydropyrrolo[2,3-b]azepine;ethane.
What is the SMILES notation for 1,5-dihydropyrrolo[2,3-b]azepine;ethane?
The canonical SMILES for 1,5-dihydropyrrolo[2,3-b]azepine;ethane is C1=CN=c2[nH]ccc2=CC1.CC.
What is the InChIKey of 1,5-dihydropyrrolo[2,3-b]azepine;ethane?
The InChIKey is CJZMAVCCEAIKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C2H6/c1-2-5-9-8-7(3-1)4-6-10-8;1-2/h2-6H,1H2,(H,9,10);1-2H3.
What are the key properties of 1,5-dihydropyrrolo[2,3-b]azepine;ethane?
1,5-dihydropyrrolo[2,3-b]azepine;ethane has a molecular weight of 162.24 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydropyrrolo[2,3-b]azepine;ethane is sourced from PubChem (CID 143713059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).