6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[1-(2-methylpropyl)cyclopentyl]methanone

C18H25NO — CID 115783694

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCC(C)CC1(C(=O)C2CCc3cccnc32)CCCC1
InChIInChI=1S/C18H25NO/c1-13(2)12-18(9-3-4-10-18)17(20)15-8-7-14-6-5-11-19-16(14)15/h5-6,11,13,15H,3-4,7-10,12H2,1-2H3
InChIKeyYAYBXDXKEKIKRD-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.29
Rot. Bonds4

About 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[1-(2-methylpropyl)cyclopentyl]methanone

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[1-(2-methylpropyl)cyclopentyl]methanone (PubChem CID 115783694) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[1-(2-methylpropyl)cyclopentyl]methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[1-(2-methylpropyl)cyclopentyl]methanone
PubChem CID115783694
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCC(C)CC1(C(=O)C2CCc3cccnc32)CCCC1
InChIInChI=1S/C18H25NO/c1-13(2)12-18(9-3-4-10-18)17(20)15-8-7-14-6-5-11-19-16(14)15/h5-6,11,13,15H,3-4,7-10,12H2,1-2H3
InChIKeyYAYBXDXKEKIKRD-UHFFFAOYSA-N
XLogP4.29
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)cyclobutyl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 116600320
2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-1-one
CID 115783784
(3-propan-2-ylpyrrolidin-3-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 106982195
4-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylbutan-1-one
CID 116594877
2-butan-2-ylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone
CID 79745420
(1-methoxycyclobutyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 116707061
2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pentan-1-one
CID 116554606
3-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116612266
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylphenyl)methanone
CID 79746018
N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
CID 122134812
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 79733260
3-(5,6,7,8-tetrahydroquinolin-8-yl)butanoic acid
CID 81009137

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[1-(2-methylpropyl)cyclopentyl]methanone?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[1-(2-methylpropyl)cyclopentyl]methanone (CID 115783694) is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[1-(2-methylpropyl)cyclopentyl]methanone.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[1-(2-methylpropyl)cyclopentyl]methanone?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[1-(2-methylpropyl)cyclopentyl]methanone is CC(C)CC1(C(=O)C2CCc3cccnc32)CCCC1.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[1-(2-methylpropyl)cyclopentyl]methanone?
The InChIKey is YAYBXDXKEKIKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-13(2)12-18(9-3-4-10-18)17(20)15-8-7-14-6-5-11-19-16(14)15/h5-6,11,13,15H,3-4,7-10,12H2,1-2H3.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[1-(2-methylpropyl)cyclopentyl]methanone?
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[1-(2-methylpropyl)cyclopentyl]methanone has a molecular weight of 271.40 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[1-(2-methylpropyl)cyclopentyl]methanone is sourced from PubChem (CID 115783694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).