pyrrolidin-1-yl N-(4-oxobutan-2-yl)carbamate

C9H16N2O3 — CID 140663455

IUPACpyrrolidin-1-yl N-(4-oxobutan-2-yl)carbamate
SMILESCC(CC=O)NC(=O)ON1CCCC1
InChIInChI=1S/C9H16N2O3/c1-8(4-7-12)10-9(13)14-11-5-2-3-6-11/h7-8H,2-6H2,1H3,(H,10,13)
InChIKeyDFQBSLNUQPDFAQ-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.70
Rot. Bonds4

About pyrrolidin-1-yl N-(4-oxobutan-2-yl)carbamate

pyrrolidin-1-yl N-(4-oxobutan-2-yl)carbamate (PubChem CID 140663455) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is pyrrolidin-1-yl N-(4-oxobutan-2-yl)carbamate.

Molecular Properties

Compound Namepyrrolidin-1-yl N-(4-oxobutan-2-yl)carbamate
PubChem CID140663455
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namepyrrolidin-1-yl N-(4-oxobutan-2-yl)carbamate
SMILESCC(CC=O)NC(=O)ON1CCCC1
InChIInChI=1S/C9H16N2O3/c1-8(4-7-12)10-9(13)14-11-5-2-3-6-11/h7-8H,2-6H2,1H3,(H,10,13)
InChIKeyDFQBSLNUQPDFAQ-UHFFFAOYSA-N
XLogP0.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze pyrrolidin-1-yl N-(4-oxobutan-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-4-oxobutan-2-yl]carbamic acid
CID 91297255
pyrrolidin-1-yl N-tert-butylcarbamate
CID 23289140
azetidin-1-yl 4-oxo-2-(2-propan-2-ylphenyl)butanoate
CID 166691236
dipyrrolidin-1-yl (E)-but-2-enedioate
CID 68896347
azepan-1-yl acetate
CID 67537261
pyrrolidin-1-yl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 67865153
3-(3,3-diaminoprop-1-en-2-ylamino)butanal
CID 135130114
ethyl N-pent-4-en-2-ylcarbamate
CID 112691558
2-(1-pyrrolidin-1-ylethylamino)acetaldehyde
CID 173197031
N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776
3-[2-(2-nitrosoethoxy)ethoxy]-N-(4-oxobutan-2-yl)propanamide
CID 167262537
2,2-dimethyl-N-[(2S)-pent-4-en-2-yl]pyrrolidine-1-carboxamide
CID 99840092

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl N-(4-oxobutan-2-yl)carbamate?
The IUPAC name of pyrrolidin-1-yl N-(4-oxobutan-2-yl)carbamate (CID 140663455) is pyrrolidin-1-yl N-(4-oxobutan-2-yl)carbamate.
What is the SMILES notation for pyrrolidin-1-yl N-(4-oxobutan-2-yl)carbamate?
The canonical SMILES for pyrrolidin-1-yl N-(4-oxobutan-2-yl)carbamate is CC(CC=O)NC(=O)ON1CCCC1.
What is the InChIKey of pyrrolidin-1-yl N-(4-oxobutan-2-yl)carbamate?
The InChIKey is DFQBSLNUQPDFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-8(4-7-12)10-9(13)14-11-5-2-3-6-11/h7-8H,2-6H2,1H3,(H,10,13).
What are the key properties of pyrrolidin-1-yl N-(4-oxobutan-2-yl)carbamate?
pyrrolidin-1-yl N-(4-oxobutan-2-yl)carbamate has a molecular weight of 200.24 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl N-(4-oxobutan-2-yl)carbamate is sourced from PubChem (CID 140663455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).