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

C15H28N2O2 — CID 65118896

IUPAC1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one
SMILESCC1CCCC(O)(CN2CCC(NC(C)C)C2=O)C1
InChIInChI=1S/C15H28N2O2/c1-11(2)16-13-6-8-17(14(13)18)10-15(19)7-4-5-12(3)9-15/h11-13,16,19H,4-10H2,1-3H3
InChIKeyKIEBTTRUWXWHLS-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.53
Rot. Bonds4

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

1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one (PubChem CID 65118896) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one
PubChem CID65118896
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one
SMILESCC1CCCC(O)(CN2CCC(NC(C)C)C2=O)C1
InChIInChI=1S/C15H28N2O2/c1-11(2)16-13-6-8-17(14(13)18)10-15(19)7-4-5-12(3)9-15/h11-13,16,19H,4-10H2,1-3H3
InChIKeyKIEBTTRUWXWHLS-UHFFFAOYSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one?
The IUPAC name of 1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one (CID 65118896) is 1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one?
The canonical SMILES for 1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one is CC1CCCC(O)(CN2CCC(NC(C)C)C2=O)C1.
What is the InChIKey of 1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one?
The InChIKey is KIEBTTRUWXWHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(2)16-13-6-8-17(14(13)18)10-15(19)7-4-5-12(3)9-15/h11-13,16,19H,4-10H2,1-3H3.
What are the key properties of 1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one?
1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one has a molecular weight of 268.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 65118896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).