N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-methylbutanamide

C12H20N2O2 — CID 110719693

IUPACN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C12H20N2O2/c1-8(2)5-11(15)13-9-6-12(16)14(7-9)10-3-4-10/h8-10H,3-7H2,1-2H3,(H,13,15)
InChIKeyGQDODFJJNCNLKA-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.91
Rot. Bonds4

About N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-methylbutanamide

N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-methylbutanamide (PubChem CID 110719693) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-methylbutanamide
PubChem CID110719693
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C12H20N2O2/c1-8(2)5-11(15)13-9-6-12(16)14(7-9)10-3-4-10/h8-10H,3-7H2,1-2H3,(H,13,15)
InChIKeyGQDODFJJNCNLKA-UHFFFAOYSA-N
XLogP0.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide
CID 119789629
3-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide
CID 110736478
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 95985167
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methyl-3-(methylamino)propanamide
CID 119789623
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 95985209
2-(cyclopropylmethylamino)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)acetamide
CID 119789619
3-amino-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide;hydrochloride
CID 119327016
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 95985225
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 26410011
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide
CID 7255518
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-(2-methoxyphenyl)acetamide
CID 110719761
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide
CID 95968751

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-methylbutanamide?
The IUPAC name of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-methylbutanamide (CID 110719693) is N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-methylbutanamide.
What is the SMILES notation for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-methylbutanamide?
The canonical SMILES for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-methylbutanamide is CC(C)CC(=O)NC1CC(=O)N(C2CC2)C1.
What is the InChIKey of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-methylbutanamide?
The InChIKey is GQDODFJJNCNLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8(2)5-11(15)13-9-6-12(16)14(7-9)10-3-4-10/h8-10H,3-7H2,1-2H3,(H,13,15).
What are the key properties of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-methylbutanamide?
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-methylbutanamide has a molecular weight of 224.30 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-methylbutanamide is sourced from PubChem (CID 110719693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).