N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]acetamide

C13H22N2O2 — CID 42595089

IUPACN-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C13H22N2O2/c1-10(16)14-11-8-13(17)15(9-11)12-6-4-2-3-5-7-12/h11-12H,2-9H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyBSQXVCUWDFRWLE-NSHDSACASA-N
MW238.33 g/mol
LogP1.45
Rot. Bonds2

About N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]acetamide

N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]acetamide (PubChem CID 42595089) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]acetamide
PubChem CID42595089
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C13H22N2O2/c1-10(16)14-11-8-13(17)15(9-11)12-6-4-2-3-5-7-12/h11-12H,2-9H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyBSQXVCUWDFRWLE-NSHDSACASA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]acetamide (CID 42595089) is N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]acetamide is CC(=O)N[C@H]1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]acetamide?
The InChIKey is BSQXVCUWDFRWLE-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(16)14-11-8-13(17)15(9-11)12-6-4-2-3-5-7-12/h11-12H,2-9H2,1H3,(H,14,16)/t11-/m0/s1.
What are the key properties of N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]acetamide?
N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]acetamide has a molecular weight of 238.33 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 42595089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).