1-(2-aminocyclohexyl)-4-methylpyrrolidin-2-one

C11H20N2O — CID 67105616

IUPAC1-(2-aminocyclohexyl)-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(C2CCCCC2N)C1
InChIInChI=1S/C11H20N2O/c1-8-6-11(14)13(7-8)10-5-3-2-4-9(10)12/h8-10H,2-7,12H2,1H3
InChIKeyUWPNLCBOJOLRLX-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.12
Rot. Bonds1

About 1-(2-aminocyclohexyl)-4-methylpyrrolidin-2-one

1-(2-aminocyclohexyl)-4-methylpyrrolidin-2-one (PubChem CID 67105616) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(2-aminocyclohexyl)-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-aminocyclohexyl)-4-methylpyrrolidin-2-one
PubChem CID67105616
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(2-aminocyclohexyl)-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(C2CCCCC2N)C1
InChIInChI=1S/C11H20N2O/c1-8-6-11(14)13(7-8)10-5-3-2-4-9(10)12/h8-10H,2-7,12H2,1H3
InChIKeyUWPNLCBOJOLRLX-UHFFFAOYSA-N
XLogP1.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclohexyl)-4-methylpyrrolidin-2-one?
The IUPAC name of 1-(2-aminocyclohexyl)-4-methylpyrrolidin-2-one (CID 67105616) is 1-(2-aminocyclohexyl)-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-(2-aminocyclohexyl)-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-(2-aminocyclohexyl)-4-methylpyrrolidin-2-one is CC1CC(=O)N(C2CCCCC2N)C1.
What is the InChIKey of 1-(2-aminocyclohexyl)-4-methylpyrrolidin-2-one?
The InChIKey is UWPNLCBOJOLRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8-6-11(14)13(7-8)10-5-3-2-4-9(10)12/h8-10H,2-7,12H2,1H3.
What are the key properties of 1-(2-aminocyclohexyl)-4-methylpyrrolidin-2-one?
1-(2-aminocyclohexyl)-4-methylpyrrolidin-2-one has a molecular weight of 196.29 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclohexyl)-4-methylpyrrolidin-2-one is sourced from PubChem (CID 67105616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).