N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide

C14H18N2O — CID 835494

IUPACN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide
SMILESCC(=O)Nc1c2c(nc3c1CCC3)CCCC2
InChIInChI=1S/C14H18N2O/c1-9(17)15-14-10-5-2-3-7-12(10)16-13-8-4-6-11(13)14/h2-8H2,1H3,(H,15,16,17)
InChIKeyJHNTWXAOTQSWPG-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.41
Rot. Bonds1

About N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide

N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide (PubChem CID 835494) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide
PubChem CID835494
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide
SMILESCC(=O)Nc1c2c(nc3c1CCC3)CCCC2
InChIInChI=1S/C14H18N2O/c1-9(17)15-14-10-5-2-3-7-12(10)16-13-8-4-6-11(13)14/h2-8H2,1H3,(H,15,16,17)
InChIKeyJHNTWXAOTQSWPG-UHFFFAOYSA-N
XLogP2.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide (CID 835494) is N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide is CC(=O)Nc1c2c(nc3c1CCC3)CCCC2.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide?
The InChIKey is JHNTWXAOTQSWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9(17)15-14-10-5-2-3-7-12(10)16-13-8-4-6-11(13)14/h2-8H2,1H3,(H,15,16,17).
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide?
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide has a molecular weight of 230.31 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide is sourced from PubChem (CID 835494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).