1-[(2-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one

C14H26N2O2 — CID 64912762

IUPAC1-[(2-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one
SMILESCC(C)NC1CCN(CC2CCCCC2O)C1=O
InChIInChI=1S/C14H26N2O2/c1-10(2)15-12-7-8-16(14(12)18)9-11-5-3-4-6-13(11)17/h10-13,15,17H,3-9H2,1-2H3
InChIKeyIZLYZBLUQSKWTF-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.14
Rot. Bonds4

About 1-[(2-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one

1-[(2-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one (PubChem CID 64912762) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[(2-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one
PubChem CID64912762
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[(2-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one
SMILESCC(C)NC1CCN(CC2CCCCC2O)C1=O
InChIInChI=1S/C14H26N2O2/c1-10(2)15-12-7-8-16(14(12)18)9-11-5-3-4-6-13(11)17/h10-13,15,17H,3-9H2,1-2H3
InChIKeyIZLYZBLUQSKWTF-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one?
The IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one (CID 64912762) is 1-[(2-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-[(2-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one?
The canonical SMILES for 1-[(2-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one is CC(C)NC1CCN(CC2CCCCC2O)C1=O.
What is the InChIKey of 1-[(2-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one?
The InChIKey is IZLYZBLUQSKWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10(2)15-12-7-8-16(14(12)18)9-11-5-3-4-6-13(11)17/h10-13,15,17H,3-9H2,1-2H3.
What are the key properties of 1-[(2-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one?
1-[(2-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one has a molecular weight of 254.37 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 64912762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).