cycloocten-1-yl(pyrrolidin-3-yl)methanone

C13H21NO — CID 106655303

IUPACcycloocten-1-yl(pyrrolidin-3-yl)methanone
SMILESO=C(C1=CCCCCCC1)C1CCNC1
InChIInChI=1S/C13H21NO/c15-13(12-8-9-14-10-12)11-6-4-2-1-3-5-7-11/h6,12,14H,1-5,7-10H2
InChIKeyPRZKQDJDQQAJDK-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.45
Rot. Bonds2

About cycloocten-1-yl(pyrrolidin-3-yl)methanone

cycloocten-1-yl(pyrrolidin-3-yl)methanone (PubChem CID 106655303) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is cycloocten-1-yl(pyrrolidin-3-yl)methanone.

Molecular Properties

Compound Namecycloocten-1-yl(pyrrolidin-3-yl)methanone
PubChem CID106655303
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Namecycloocten-1-yl(pyrrolidin-3-yl)methanone
SMILESO=C(C1=CCCCCCC1)C1CCNC1
InChIInChI=1S/C13H21NO/c15-13(12-8-9-14-10-12)11-6-4-2-1-3-5-7-11/h6,12,14H,1-5,7-10H2
InChIKeyPRZKQDJDQQAJDK-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 126727
(R,R)-(+)-Homoanatoxin A hydrochloride
CID 20056049
(4-Fluorocyclohexen-1-yl)-piperidin-4-ylmethanone
CID 68199885
(4-Fluorocyclohexen-1-yl)-pyrrolidin-3-ylmethanone
CID 123445741
Cycloocten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 106655347
Cyclohexen-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 106655348
Cyclohepten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 106655349
1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-2-methylpropan-1-one
CID 101659988
1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3,3,3-trideuteriopropan-1-one
CID 171380044
4,4-Dimethyl-2-(pyrrolidin-2-ylmethyl)cyclohex-2-en-1-one
CID 53689335
2-(3,3-Dimethylpyrrolidin-2-yl)-6-methylidenecyclohex-2-en-1-one
CID 53709339
4,4-Dimethyl-6-methylidene-2-pyrrolidin-3-ylcyclohex-2-en-1-one
CID 53815165

Frequently Asked Questions

What is the IUPAC name of cycloocten-1-yl(pyrrolidin-3-yl)methanone?
The IUPAC name of cycloocten-1-yl(pyrrolidin-3-yl)methanone (CID 106655303) is cycloocten-1-yl(pyrrolidin-3-yl)methanone.
What is the SMILES notation for cycloocten-1-yl(pyrrolidin-3-yl)methanone?
The canonical SMILES for cycloocten-1-yl(pyrrolidin-3-yl)methanone is O=C(C1=CCCCCCC1)C1CCNC1.
What is the InChIKey of cycloocten-1-yl(pyrrolidin-3-yl)methanone?
The InChIKey is PRZKQDJDQQAJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c15-13(12-8-9-14-10-12)11-6-4-2-1-3-5-7-11/h6,12,14H,1-5,7-10H2.
What are the key properties of cycloocten-1-yl(pyrrolidin-3-yl)methanone?
cycloocten-1-yl(pyrrolidin-3-yl)methanone has a molecular weight of 207.32 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocten-1-yl(pyrrolidin-3-yl)methanone is sourced from PubChem (CID 106655303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).