7-(3-chlorocyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine

C14H16ClN — CID 79738012

IUPAC7-(3-chlorocyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESClC1C=C(C2CCc3cccnc32)CCC1
InChIInChI=1S/C14H16ClN/c15-12-5-1-3-11(9-12)13-7-6-10-4-2-8-16-14(10)13/h2,4,8-9,12-13H,1,3,5-7H2
InChIKeyHMUWNGCQNSOSBX-UHFFFAOYSA-N
MW233.74 g/mol
LogP3.83
Rot. Bonds1

About 7-(3-chlorocyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine

7-(3-chlorocyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 79738012) has the molecular formula C14H16ClN and a molecular weight of 233.74 g/mol. Its IUPAC name is 7-(3-chlorocyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name7-(3-chlorocyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID79738012
Molecular FormulaC14H16ClN
Molecular Weight233.74 g/mol
Exact Mass233.10
IUPAC Name7-(3-chlorocyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESClC1C=C(C2CCc3cccnc32)CCC1
InChIInChI=1S/C14H16ClN/c15-12-5-1-3-11(9-12)13-7-6-10-4-2-8-16-14(10)13/h2,4,8-9,12-13H,1,3,5-7H2
InChIKeyHMUWNGCQNSOSBX-UHFFFAOYSA-N
XLogP3.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopent-2-en-1-one
CID 79737986
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
7-(5-chloropyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 105371323
5,5-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohex-2-en-1-ol
CID 79738968
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071
(8S)-5,6,7,8-tetrahydroquinolin-8-ol
CID 11480532
7-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 80952163
7-(6-chloro-5-ethylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79739769
7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79739169
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,3-dihydroinden-1-one
CID 114080982
2-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde
CID 79739966

Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorocyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 7-(3-chlorocyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 79738012) is 7-(3-chlorocyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 7-(3-chlorocyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 7-(3-chlorocyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine is ClC1C=C(C2CCc3cccnc32)CCC1.
What is the InChIKey of 7-(3-chlorocyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is HMUWNGCQNSOSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN/c15-12-5-1-3-11(9-12)13-7-6-10-4-2-8-16-14(10)13/h2,4,8-9,12-13H,1,3,5-7H2.
What are the key properties of 7-(3-chlorocyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
7-(3-chlorocyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 233.74 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorocyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 79738012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).