cycloocten-1-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone

C18H29NO — CID 106652005

IUPACcycloocten-1-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone
SMILESO=C(C1=CCCCCCC1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C18H29NO/c20-17(16-10-4-2-1-3-5-11-16)18(12-6-7-13-18)19-14-8-9-15-19/h10H,1-9,11-15H2
InChIKeyYLBVFHPCPVKSPF-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.24
Rot. Bonds3

About cycloocten-1-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone

cycloocten-1-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone (PubChem CID 106652005) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is cycloocten-1-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone.

Molecular Properties

Compound Namecycloocten-1-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone
PubChem CID106652005
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Namecycloocten-1-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone
SMILESO=C(C1=CCCCCCC1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C18H29NO/c20-17(16-10-4-2-1-3-5-11-16)18(12-6-7-13-18)19-14-8-9-15-19/h10H,1-9,11-15H2
InChIKeyYLBVFHPCPVKSPF-UHFFFAOYSA-N
XLogP4.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexen-1-yl-(1-hydroxycyclopentyl)methanone
CID 106652335
cycloocten-1-yl-(1-methoxycyclohexyl)methanone
CID 106652256
cyclohepten-1-yl-(1-methoxycyclopentyl)methanone
CID 106652202
cycloocten-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 106655318
cyclohexen-1-yl-[1-(dimethylamino)cyclopentyl]methanone
CID 106652002
(3-methylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79058233
(3,5-dimethylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79057457
(2,4-dimethylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79057464
(1-piperidin-1-ylcyclopentyl)-thiophen-3-ylmethanone
CID 79057980
(4-methoxyphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79057208
(2-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 79059436
[1-(aminomethyl)cyclobutyl]-(cycloocten-1-yl)methanone
CID 106655611

Frequently Asked Questions

What is the IUPAC name of cycloocten-1-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone?
The IUPAC name of cycloocten-1-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone (CID 106652005) is cycloocten-1-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone.
What is the SMILES notation for cycloocten-1-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone?
The canonical SMILES for cycloocten-1-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone is O=C(C1=CCCCCCC1)C1(N2CCCC2)CCCC1.
What is the InChIKey of cycloocten-1-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone?
The InChIKey is YLBVFHPCPVKSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c20-17(16-10-4-2-1-3-5-11-16)18(12-6-7-13-18)19-14-8-9-15-19/h10H,1-9,11-15H2.
What are the key properties of cycloocten-1-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone?
cycloocten-1-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone has a molecular weight of 275.44 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocten-1-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone is sourced from PubChem (CID 106652005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).