N-[1-(3,3-dimethylbutanoyl)-4-oxopyrrolidin-3-yl]formamide

C11H18N2O3 — CID 142151070

IUPACN-[1-(3,3-dimethylbutanoyl)-4-oxopyrrolidin-3-yl]formamide
SMILESCC(C)(C)CC(=O)N1CC(=O)C(NC=O)C1
InChIInChI=1S/C11H18N2O3/c1-11(2,3)4-10(16)13-5-8(12-7-14)9(15)6-13/h7-8H,4-6H2,1-3H3,(H,12,14)
InChIKeyZHDGFQVACQTTCM-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.05
Rot. Bonds3

About N-[1-(3,3-dimethylbutanoyl)-4-oxopyrrolidin-3-yl]formamide

N-[1-(3,3-dimethylbutanoyl)-4-oxopyrrolidin-3-yl]formamide (PubChem CID 142151070) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-[1-(3,3-dimethylbutanoyl)-4-oxopyrrolidin-3-yl]formamide.

Molecular Properties

Compound NameN-[1-(3,3-dimethylbutanoyl)-4-oxopyrrolidin-3-yl]formamide
PubChem CID142151070
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC NameN-[1-(3,3-dimethylbutanoyl)-4-oxopyrrolidin-3-yl]formamide
SMILESCC(C)(C)CC(=O)N1CC(=O)C(NC=O)C1
InChIInChI=1S/C11H18N2O3/c1-11(2,3)4-10(16)13-5-8(12-7-14)9(15)6-13/h7-8H,4-6H2,1-3H3,(H,12,14)
InChIKeyZHDGFQVACQTTCM-UHFFFAOYSA-N
XLogP-0.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3-dimethylbutanoyl)-4-oxopyrrolidin-3-yl]formamide?
The IUPAC name of N-[1-(3,3-dimethylbutanoyl)-4-oxopyrrolidin-3-yl]formamide (CID 142151070) is N-[1-(3,3-dimethylbutanoyl)-4-oxopyrrolidin-3-yl]formamide.
What is the SMILES notation for N-[1-(3,3-dimethylbutanoyl)-4-oxopyrrolidin-3-yl]formamide?
The canonical SMILES for N-[1-(3,3-dimethylbutanoyl)-4-oxopyrrolidin-3-yl]formamide is CC(C)(C)CC(=O)N1CC(=O)C(NC=O)C1.
What is the InChIKey of N-[1-(3,3-dimethylbutanoyl)-4-oxopyrrolidin-3-yl]formamide?
The InChIKey is ZHDGFQVACQTTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-11(2,3)4-10(16)13-5-8(12-7-14)9(15)6-13/h7-8H,4-6H2,1-3H3,(H,12,14).
What are the key properties of N-[1-(3,3-dimethylbutanoyl)-4-oxopyrrolidin-3-yl]formamide?
N-[1-(3,3-dimethylbutanoyl)-4-oxopyrrolidin-3-yl]formamide has a molecular weight of 226.28 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3-dimethylbutanoyl)-4-oxopyrrolidin-3-yl]formamide is sourced from PubChem (CID 142151070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).