1-[(11Z)-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone

C16H14N2O — CID 11345701

IUPAC1-[(11Z)-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone
SMILESCC(=O)N1Cc2cccnc2/C=C\c2ccccc21
InChIInChI=1S/C16H14N2O/c1-12(19)18-11-14-6-4-10-17-15(14)9-8-13-5-2-3-7-16(13)18/h2-10H,11H2,1H3/b9-8-
InChIKeyRPMKRFYQNIQOET-HJWRWDBZSA-N
MW250.30 g/mol
LogP3.12
Rot. Bonds

About 1-[(11Z)-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone

1-[(11Z)-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone (PubChem CID 11345701) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[(11Z)-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone.

Molecular Properties

Compound Name1-[(11Z)-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone
PubChem CID11345701
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name1-[(11Z)-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone
SMILESCC(=O)N1Cc2cccnc2/C=C\c2ccccc21
InChIInChI=1S/C16H14N2O/c1-12(19)18-11-14-6-4-10-17-15(14)9-8-13-5-2-3-7-16(13)18/h2-10H,11H2,1H3/b9-8-
InChIKeyRPMKRFYQNIQOET-HJWRWDBZSA-N
XLogP3.12
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(9-bromo-6H-benzo[c][1]benzazocin-5-yl)ethanone
CID 86070768
1-[9-(diethylamino)-6H-benzo[c][1]benzazocin-5-yl]ethanone
CID 68892457
1-[9-(5-propan-2-yl-1,3-oxazol-2-yl)-6H-benzo[c][1]benzazocin-5-yl]ethanone
CID 68892180
1-[9-(pyridin-3-ylmethylamino)-6H-benzo[c][1]benzazocin-5-yl]ethanone
CID 69196155
N-[3-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]-3-oxopropyl]-5-oxohexanamide
CID 130283966
1-[(11Z)-9-(methylsulfonylmethoxy)-6H-benzo[c][1]benzazocin-5-yl]ethanone
CID 59772424
1-[9-(1,3-oxazol-5-yl)-6H-benzo[c][1]benzazocin-5-yl]ethanone
CID 68895015
1-[(11Z)-9-(6-methoxy-2-pyridinyl)-6H-benzo[c][1]benzazocin-5-yl]ethanone
CID 87730116
1-[9-(6-methoxy-2-pyridinyl)-6H-benzo[c][1]benzazocin-5-yl]ethanone
CID 69195800
1-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]-3-(propan-2-ylamino)propan-1-one
CID 146395638
methyl N-[3-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]-3-oxopropyl]carbamate
CID 166973642
N-[3-(6H-benzo[c][1]benzazocin-5-yl)-3-oxopropyl]-2,2,2-trifluoroacetamide
CID 171338263

Frequently Asked Questions

What is the IUPAC name of 1-[(11Z)-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone?
The IUPAC name of 1-[(11Z)-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone (CID 11345701) is 1-[(11Z)-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone.
What is the SMILES notation for 1-[(11Z)-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone?
The canonical SMILES for 1-[(11Z)-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone is CC(=O)N1Cc2cccnc2/C=C\c2ccccc21.
What is the InChIKey of 1-[(11Z)-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone?
The InChIKey is RPMKRFYQNIQOET-HJWRWDBZSA-N. The full InChI is InChI=1S/C16H14N2O/c1-12(19)18-11-14-6-4-10-17-15(14)9-8-13-5-2-3-7-16(13)18/h2-10H,11H2,1H3/b9-8-.
What are the key properties of 1-[(11Z)-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone?
1-[(11Z)-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone has a molecular weight of 250.30 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(11Z)-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone is sourced from PubChem (CID 11345701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).