1-prop-2-ynylpyrrolidine-3-carboxamide

C8H12N2O — CID 87958018

IUPAC1-prop-2-ynylpyrrolidine-3-carboxamide
SMILESC#CCN1CCC(C(N)=O)C1
InChIInChI=1S/C8H12N2O/c1-2-4-10-5-3-7(6-10)8(9)11/h1,7H,3-6H2,(H2,9,11)
InChIKeySHUOIXDIFSZMME-UHFFFAOYSA-N
MW152.20 g/mol
LogP-0.57
Rot. Bonds2

About 1-prop-2-ynylpyrrolidine-3-carboxamide

1-prop-2-ynylpyrrolidine-3-carboxamide (PubChem CID 87958018) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-prop-2-ynylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-prop-2-ynylpyrrolidine-3-carboxamide
PubChem CID87958018
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-prop-2-ynylpyrrolidine-3-carboxamide
SMILESC#CCN1CCC(C(N)=O)C1
InChIInChI=1S/C8H12N2O/c1-2-4-10-5-3-7(6-10)8(9)11/h1,7H,3-6H2,(H2,9,11)
InChIKeySHUOIXDIFSZMME-UHFFFAOYSA-N
XLogP-0.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-ynylpyrrolidin-3-amine
CID 60861470
1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-3-carboxamide
CID 78913114
tert-butyl 1-prop-2-ynylpiperidine-4-carboxylate
CID 126454918
1-prop-2-ynylpiperidin-4-ol;hydrochloride
CID 146626948
(2S)-3-methyl-2-[methyl-[(3S)-1-prop-2-ynylpyrrolidine-3-carbonyl]amino]butanoic acid
CID 167483949
1-[6-(hydroxyamino)-6-oxohexyl]pyrrolidine-3-carboxamide
CID 175801820
1-(2-chloroethyl)piperidine-3-carboxamide
CID 61287310
1-(2-cyclohexylpropyl)pyrrolidine-3-carboxamide
CID 126798055
1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane
CID 90277190
2-[(1-prop-2-ynylpiperidin-4-yl)amino]acetic acid
CID 43774231
1-(2-hydrazinyl-2-oxoethyl)piperidine-4-carboxamide
CID 63568809
1-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]ethanone
CID 43791036

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynylpyrrolidine-3-carboxamide?
The IUPAC name of 1-prop-2-ynylpyrrolidine-3-carboxamide (CID 87958018) is 1-prop-2-ynylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-prop-2-ynylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-prop-2-ynylpyrrolidine-3-carboxamide is C#CCN1CCC(C(N)=O)C1.
What is the InChIKey of 1-prop-2-ynylpyrrolidine-3-carboxamide?
The InChIKey is SHUOIXDIFSZMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-4-10-5-3-7(6-10)8(9)11/h1,7H,3-6H2,(H2,9,11).
What are the key properties of 1-prop-2-ynylpyrrolidine-3-carboxamide?
1-prop-2-ynylpyrrolidine-3-carboxamide has a molecular weight of 152.20 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynylpyrrolidine-3-carboxamide is sourced from PubChem (CID 87958018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).