5-hydroxy-1-[(4-propanoylcyclohexyl)methyl]-3-propan-2-ylpyrrolidin-2-one

C17H29NO3 — CID 137409860

IUPAC5-hydroxy-1-[(4-propanoylcyclohexyl)methyl]-3-propan-2-ylpyrrolidin-2-one
SMILESCCC(=O)C1CCC(CN2C(=O)C(C(C)C)CC2O)CC1
InChIInChI=1S/C17H29NO3/c1-4-15(19)13-7-5-12(6-8-13)10-18-16(20)9-14(11(2)3)17(18)21/h11-14,16,20H,4-10H2,1-3H3
InChIKeySFZDIAZWOAPPCI-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.59
Rot. Bonds5

About 5-hydroxy-1-[(4-propanoylcyclohexyl)methyl]-3-propan-2-ylpyrrolidin-2-one

5-hydroxy-1-[(4-propanoylcyclohexyl)methyl]-3-propan-2-ylpyrrolidin-2-one (PubChem CID 137409860) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 5-hydroxy-1-[(4-propanoylcyclohexyl)methyl]-3-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-[(4-propanoylcyclohexyl)methyl]-3-propan-2-ylpyrrolidin-2-one
PubChem CID137409860
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name5-hydroxy-1-[(4-propanoylcyclohexyl)methyl]-3-propan-2-ylpyrrolidin-2-one
SMILESCCC(=O)C1CCC(CN2C(=O)C(C(C)C)CC2O)CC1
InChIInChI=1S/C17H29NO3/c1-4-15(19)13-7-5-12(6-8-13)10-18-16(20)9-14(11(2)3)17(18)21/h11-14,16,20H,4-10H2,1-3H3
InChIKeySFZDIAZWOAPPCI-UHFFFAOYSA-N
XLogP2.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[(4-propanoylcyclohexyl)methyl]-3-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 5-hydroxy-1-[(4-propanoylcyclohexyl)methyl]-3-propan-2-ylpyrrolidin-2-one (CID 137409860) is 5-hydroxy-1-[(4-propanoylcyclohexyl)methyl]-3-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-1-[(4-propanoylcyclohexyl)methyl]-3-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-1-[(4-propanoylcyclohexyl)methyl]-3-propan-2-ylpyrrolidin-2-one is CCC(=O)C1CCC(CN2C(=O)C(C(C)C)CC2O)CC1.
What is the InChIKey of 5-hydroxy-1-[(4-propanoylcyclohexyl)methyl]-3-propan-2-ylpyrrolidin-2-one?
The InChIKey is SFZDIAZWOAPPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-4-15(19)13-7-5-12(6-8-13)10-18-16(20)9-14(11(2)3)17(18)21/h11-14,16,20H,4-10H2,1-3H3.
What are the key properties of 5-hydroxy-1-[(4-propanoylcyclohexyl)methyl]-3-propan-2-ylpyrrolidin-2-one?
5-hydroxy-1-[(4-propanoylcyclohexyl)methyl]-3-propan-2-ylpyrrolidin-2-one has a molecular weight of 295.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[(4-propanoylcyclohexyl)methyl]-3-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 137409860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).