1-(cycloheptylidenemethyl)pyrrolidin-2-one

C12H19NO — CID 102490481

IUPAC1-(cycloheptylidenemethyl)pyrrolidin-2-one
SMILESO=C1CCCN1C=C1CCCCCC1
InChIInChI=1S/C12H19NO/c14-12-8-5-9-13(12)10-11-6-3-1-2-4-7-11/h10H,1-9H2
InChIKeyPTJDUILXWINEPG-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.85
Rot. Bonds1

About 1-(cycloheptylidenemethyl)pyrrolidin-2-one

1-(cycloheptylidenemethyl)pyrrolidin-2-one (PubChem CID 102490481) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(cycloheptylidenemethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(cycloheptylidenemethyl)pyrrolidin-2-one
PubChem CID102490481
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(cycloheptylidenemethyl)pyrrolidin-2-one
SMILESO=C1CCCN1C=C1CCCCCC1
InChIInChI=1S/C12H19NO/c14-12-8-5-9-13(12)10-11-6-3-1-2-4-7-11/h10H,1-9H2
InChIKeyPTJDUILXWINEPG-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cycloheptylidenemethyl)pyrrolidin-2-one?
The IUPAC name of 1-(cycloheptylidenemethyl)pyrrolidin-2-one (CID 102490481) is 1-(cycloheptylidenemethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(cycloheptylidenemethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(cycloheptylidenemethyl)pyrrolidin-2-one is O=C1CCCN1C=C1CCCCCC1.
What is the InChIKey of 1-(cycloheptylidenemethyl)pyrrolidin-2-one?
The InChIKey is PTJDUILXWINEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c14-12-8-5-9-13(12)10-11-6-3-1-2-4-7-11/h10H,1-9H2.
What are the key properties of 1-(cycloheptylidenemethyl)pyrrolidin-2-one?
1-(cycloheptylidenemethyl)pyrrolidin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloheptylidenemethyl)pyrrolidin-2-one is sourced from PubChem (CID 102490481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).