1-but-3-en-2-yl-3-hydroxypyrrolidine-3-carboxamide

C9H16N2O2 — CID 126979743

IUPAC1-but-3-en-2-yl-3-hydroxypyrrolidine-3-carboxamide
SMILESC=CC(C)N1CCC(O)(C(N)=O)C1
InChIInChI=1S/C9H16N2O2/c1-3-7(2)11-5-4-9(13,6-11)8(10)12/h3,7,13H,1,4-6H2,2H3,(H2,10,12)
InChIKeyRNKNJDAREXNDHM-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.52
Rot. Bonds3

About 1-but-3-en-2-yl-3-hydroxypyrrolidine-3-carboxamide

1-but-3-en-2-yl-3-hydroxypyrrolidine-3-carboxamide (PubChem CID 126979743) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-but-3-en-2-yl-3-hydroxypyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-but-3-en-2-yl-3-hydroxypyrrolidine-3-carboxamide
PubChem CID126979743
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-but-3-en-2-yl-3-hydroxypyrrolidine-3-carboxamide
SMILESC=CC(C)N1CCC(O)(C(N)=O)C1
InChIInChI=1S/C9H16N2O2/c1-3-7(2)11-5-4-9(13,6-11)8(10)12/h3,7,13H,1,4-6H2,2H3,(H2,10,12)
InChIKeyRNKNJDAREXNDHM-UHFFFAOYSA-N
XLogP-0.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-but-3-en-2-yl-4-methylpiperidin-4-ol
CID 80702409
1-but-3-en-2-yl-3,3-difluoropyrrolidine
CID 130736637
1-but-3-en-2-yl-4-methylpiperidine-4-carboxylic acid
CID 63124469
6-but-3-en-2-yl-6-azaspiro[3.5]nonane
CID 130905971
1-[(2R)-but-3-en-2-yl]-4-fluoro-4-methylpiperidine
CID 174254467
(1-but-3-en-2-yl-4-methylpiperidin-4-yl)methanol
CID 127000307
1-[(3S)-3,4-dimethylpentanoyl]-4-hydroxypiperidine-4-carboxamide
CID 164636283
1-(3,4-dimethylpentanoyl)-4-hydroxypiperidine-4-carboxamide
CID 136545053
1-(2,2-difluoroethyl)-3-hydroxypyrrolidine-3-carboxamide
CID 130538433
1-but-3-en-2-yl-4-methoxy-4-methylpiperidine
CID 126988728
1-but-3-en-2-yl-4-ethyl-4-methylpiperidine
CID 130841239
(3S)-3-hydroxy-1-[2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide
CID 129322827

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-3-hydroxypyrrolidine-3-carboxamide?
The IUPAC name of 1-but-3-en-2-yl-3-hydroxypyrrolidine-3-carboxamide (CID 126979743) is 1-but-3-en-2-yl-3-hydroxypyrrolidine-3-carboxamide.
What is the SMILES notation for 1-but-3-en-2-yl-3-hydroxypyrrolidine-3-carboxamide?
The canonical SMILES for 1-but-3-en-2-yl-3-hydroxypyrrolidine-3-carboxamide is C=CC(C)N1CCC(O)(C(N)=O)C1.
What is the InChIKey of 1-but-3-en-2-yl-3-hydroxypyrrolidine-3-carboxamide?
The InChIKey is RNKNJDAREXNDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-7(2)11-5-4-9(13,6-11)8(10)12/h3,7,13H,1,4-6H2,2H3,(H2,10,12).
What are the key properties of 1-but-3-en-2-yl-3-hydroxypyrrolidine-3-carboxamide?
1-but-3-en-2-yl-3-hydroxypyrrolidine-3-carboxamide has a molecular weight of 184.24 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-3-hydroxypyrrolidine-3-carboxamide is sourced from PubChem (CID 126979743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).