2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)acetamide

C12H16N2O — CID 141070718

IUPAC2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)acetamide
SMILESNC(=O)CC1CCCCc2cccnc21
InChIInChI=1S/C12H16N2O/c13-11(15)8-10-5-2-1-4-9-6-3-7-14-12(9)10/h3,6-7,10H,1-2,4-5,8H2,(H2,13,15)
InChIKeyRPKNFMOZMOWGRU-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.77
Rot. Bonds2

About 2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)acetamide

2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)acetamide (PubChem CID 141070718) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)acetamide.

Molecular Properties

Compound Name2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)acetamide
PubChem CID141070718
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)acetamide
SMILESNC(=O)CC1CCCCc2cccnc21
InChIInChI=1S/C12H16N2O/c13-11(15)8-10-5-2-1-4-9-6-3-7-14-12(9)10/h3,6-7,10H,1-2,4-5,8H2,(H2,13,15)
InChIKeyRPKNFMOZMOWGRU-UHFFFAOYSA-N
XLogP1.77
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)acetic acid
CID 79740284
2-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]acetaldehyde
CID 93476901
5,6,7,8-tetrahydroquinolin-8-ylmethylhydrazine
CID 105220811
3-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 19851779
2-(5,6,7,8-tetrahydroquinolin-8-ylamino)oxyacetamide
CID 112672973
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
methyl (2R)-2-acetamido-3-(5,6,7,8-tetrahydroquinolin-8-ylmethylsulfanyl)propanoate
CID 167935371
2-cyclohexylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79745816
8-[(E)-but-2-enyl]-5,6,7,8-tetrahydroquinoline
CID 67125733
(E)-2-amino-3-(5,6,7,8-tetrahydroquinolin-8-yl)prop-2-enoic acid
CID 104830964
3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 115782065

Frequently Asked Questions

What is the IUPAC name of 2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)acetamide?
The IUPAC name of 2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)acetamide (CID 141070718) is 2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)acetamide.
What is the SMILES notation for 2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)acetamide?
The canonical SMILES for 2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)acetamide is NC(=O)CC1CCCCc2cccnc21.
What is the InChIKey of 2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)acetamide?
The InChIKey is RPKNFMOZMOWGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-11(15)8-10-5-2-1-4-9-6-3-7-14-12(9)10/h3,6-7,10H,1-2,4-5,8H2,(H2,13,15).
What are the key properties of 2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)acetamide?
2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)acetamide has a molecular weight of 204.27 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)acetamide is sourced from PubChem (CID 141070718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).