4-(aminomethyl)-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one

C12H22N2O2 — CID 168658714

IUPAC4-(aminomethyl)-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(CC2CCCCC2O)C1
InChIInChI=1S/C12H22N2O2/c13-6-9-5-12(16)14(7-9)8-10-3-1-2-4-11(10)15/h9-11,15H,1-8,13H2
InChIKeyRZDHFXBDIUVYEP-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.34
Rot. Bonds3

About 4-(aminomethyl)-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one

4-(aminomethyl)-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one (PubChem CID 168658714) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one
PubChem CID168658714
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-(aminomethyl)-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(CC2CCCCC2O)C1
InChIInChI=1S/C12H22N2O2/c13-6-9-5-12(16)14(7-9)8-10-3-1-2-4-11(10)15/h9-11,15H,1-8,13H2
InChIKeyRZDHFXBDIUVYEP-UHFFFAOYSA-N
XLogP0.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one (CID 168658714) is 4-(aminomethyl)-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one is NCC1CC(=O)N(CC2CCCCC2O)C1.
What is the InChIKey of 4-(aminomethyl)-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
The InChIKey is RZDHFXBDIUVYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-6-9-5-12(16)14(7-9)8-10-3-1-2-4-11(10)15/h9-11,15H,1-8,13H2.
What are the key properties of 4-(aminomethyl)-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
4-(aminomethyl)-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one has a molecular weight of 226.32 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 168658714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).