cycloocten-1-yl(pyrrolidin-2-yl)methanone

C13H21NO — CID 106655084

IUPACcycloocten-1-yl(pyrrolidin-2-yl)methanone
SMILESO=C(C1=CCCCCCC1)C1CCCN1
InChIInChI=1S/C13H21NO/c15-13(12-9-6-10-14-12)11-7-4-2-1-3-5-8-11/h7,12,14H,1-6,8-10H2
InChIKeyDFNLJCKWSVWBST-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.59
Rot. Bonds2

About cycloocten-1-yl(pyrrolidin-2-yl)methanone

cycloocten-1-yl(pyrrolidin-2-yl)methanone (PubChem CID 106655084) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is cycloocten-1-yl(pyrrolidin-2-yl)methanone.

Molecular Properties

Compound Namecycloocten-1-yl(pyrrolidin-2-yl)methanone
PubChem CID106655084
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Namecycloocten-1-yl(pyrrolidin-2-yl)methanone
SMILESO=C(C1=CCCCCCC1)C1CCCN1
InChIInChI=1S/C13H21NO/c15-13(12-9-6-10-14-12)11-7-4-2-1-3-5-8-11/h7,12,14H,1-6,8-10H2
InChIKeyDFNLJCKWSVWBST-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 106655114
cyclohexen-1-yl(2,3-dihydro-1H-indol-2-yl)methanone
CID 106655584
cyclohepten-1-yl-(1,1-dioxothian-2-yl)methanone
CID 104518128
cyclohepten-1-yl-(3-methylcyclohexyl)methanone
CID 103450394
cyclohexen-1-yl-(2-methylcyclopentyl)methanone
CID 107176498
cycloheptene-1-carboxamide
CID 22261654
[2-(aminomethyl)cyclopentyl]-(cycloocten-1-yl)methanone
CID 106655460
[4-(hydroxymethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanone
CID 57323043
cyclohexen-1-yl-(3-methylcyclopentyl)methanone
CID 106651922
(2-fluorophenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 89281976
cyclopropyl cycloheptene-1-carboxylate
CID 130634533

Frequently Asked Questions

What is the IUPAC name of cycloocten-1-yl(pyrrolidin-2-yl)methanone?
The IUPAC name of cycloocten-1-yl(pyrrolidin-2-yl)methanone (CID 106655084) is cycloocten-1-yl(pyrrolidin-2-yl)methanone.
What is the SMILES notation for cycloocten-1-yl(pyrrolidin-2-yl)methanone?
The canonical SMILES for cycloocten-1-yl(pyrrolidin-2-yl)methanone is O=C(C1=CCCCCCC1)C1CCCN1.
What is the InChIKey of cycloocten-1-yl(pyrrolidin-2-yl)methanone?
The InChIKey is DFNLJCKWSVWBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c15-13(12-9-6-10-14-12)11-7-4-2-1-3-5-8-11/h7,12,14H,1-6,8-10H2.
What are the key properties of cycloocten-1-yl(pyrrolidin-2-yl)methanone?
cycloocten-1-yl(pyrrolidin-2-yl)methanone has a molecular weight of 207.32 g/mol, XLogP of 2.59, 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-2-yl)methanone is sourced from PubChem (CID 106655084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).