5-(7-amino-3-methylheptanoyl)pyrrolidin-2-one

C12H22N2O2 — CID 58520724

IUPAC5-(7-amino-3-methylheptanoyl)pyrrolidin-2-one
SMILESCC(CCCCN)CC(=O)C1CCC(=O)N1
InChIInChI=1S/C12H22N2O2/c1-9(4-2-3-7-13)8-11(15)10-5-6-12(16)14-10/h9-10H,2-8,13H2,1H3,(H,14,16)
InChIKeyKYTJQHJMBZTBKL-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.99
Rot. Bonds7

About 5-(7-amino-3-methylheptanoyl)pyrrolidin-2-one

5-(7-amino-3-methylheptanoyl)pyrrolidin-2-one (PubChem CID 58520724) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-(7-amino-3-methylheptanoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(7-amino-3-methylheptanoyl)pyrrolidin-2-one
PubChem CID58520724
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name5-(7-amino-3-methylheptanoyl)pyrrolidin-2-one
SMILESCC(CCCCN)CC(=O)C1CCC(=O)N1
InChIInChI=1S/C12H22N2O2/c1-9(4-2-3-7-13)8-11(15)10-5-6-12(16)14-10/h9-10H,2-8,13H2,1H3,(H,14,16)
InChIKeyKYTJQHJMBZTBKL-UHFFFAOYSA-N
XLogP0.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-Oxo-4-pentylpyrrolidin-1-yl)butanamide
CID 9856179
2,4-Pyrrolidinedione, 3-acetyl-5-(1-methylpropyl)-
CID 104833
(2S)-2-[2-oxo-4-(2-oxopropyl)pyrrolidin-1-yl]butanamide
CID 9813314
5-(2-Methylpropanoyl)pyrrolidin-2-one
CID 20577844
(3S)-3-[(2S)-2-Amino-3-oxobutyl]pyrrolidin-2-one
CID 16214837
2-[(1R,3R,5S)-3-methyl-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexyl]acetamide
CID 10264232
(5S)-3-acetyl-5-[(2S)-butan-2-yl]pyrrolidine-2,4-dione
CID 441580
(3R,5S)-3-acetyl-5-[(2S)-butan-2-yl]pyrrolidine-2,4-dione
CID 129373411
(3R,5S)-3-acetyl-5-propan-2-ylpyrrolidine-2,4-dione
CID 163023732
3-Acetyl-5-isopropyl-2,4-pyrrolidinedione
CID 3083645
5-s-Butyl-pyrrolidine-2,4-dione
CID 19438026
(2R)-N-(2-ethylhexyl)-5-oxopyrrolidine-2-carboxamide
CID 71933133

Frequently Asked Questions

What is the IUPAC name of 5-(7-amino-3-methylheptanoyl)pyrrolidin-2-one?
The IUPAC name of 5-(7-amino-3-methylheptanoyl)pyrrolidin-2-one (CID 58520724) is 5-(7-amino-3-methylheptanoyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(7-amino-3-methylheptanoyl)pyrrolidin-2-one?
The canonical SMILES for 5-(7-amino-3-methylheptanoyl)pyrrolidin-2-one is CC(CCCCN)CC(=O)C1CCC(=O)N1.
What is the InChIKey of 5-(7-amino-3-methylheptanoyl)pyrrolidin-2-one?
The InChIKey is KYTJQHJMBZTBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(4-2-3-7-13)8-11(15)10-5-6-12(16)14-10/h9-10H,2-8,13H2,1H3,(H,14,16).
What are the key properties of 5-(7-amino-3-methylheptanoyl)pyrrolidin-2-one?
5-(7-amino-3-methylheptanoyl)pyrrolidin-2-one has a molecular weight of 226.32 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-amino-3-methylheptanoyl)pyrrolidin-2-one is sourced from PubChem (CID 58520724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).