N-prop-2-enylpyrrolidine-1-carboxamide

C8H14N2O — CID 102517238

IUPACN-prop-2-enylpyrrolidine-1-carboxamide
SMILESC=CCNC(=O)N1CCCC1
InChIInChI=1S/C8H14N2O/c1-2-5-9-8(11)10-6-3-4-7-10/h2H,1,3-7H2,(H,9,11)
InChIKeyQWTVAHVMLYSIMT-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.98
Rot. Bonds2

About N-prop-2-enylpyrrolidine-1-carboxamide

N-prop-2-enylpyrrolidine-1-carboxamide (PubChem CID 102517238) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-prop-2-enylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-prop-2-enylpyrrolidine-1-carboxamide
PubChem CID102517238
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-prop-2-enylpyrrolidine-1-carboxamide
SMILESC=CCNC(=O)N1CCCC1
InChIInChI=1S/C8H14N2O/c1-2-5-9-8(11)10-6-3-4-7-10/h2H,1,3-7H2,(H,9,11)
InChIKeyQWTVAHVMLYSIMT-UHFFFAOYSA-N
XLogP0.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-prop-2-enylpiperidine-1-carboxamide
CID 108987828
4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide
CID 46027291
N-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 130725756
3-(4-fluorophenyl)-N-prop-2-enylazepane-1-carboxamide
CID 90608883
N-[(piperidine-1-carbonylamino)methyl]piperidine-1-carboxamide
CID 59031008
2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875053
N-(3-methylbut-2-enyl)azetidine-1-carboxamide
CID 130669860
(3S)-3-[(2,2-dimethylpropanoylamino)methyl]-N-prop-2-enylpiperidine-1-carboxamide
CID 96532461
4-(2,6-difluorophenyl)-N-prop-2-enylpiperazine-1-carboxamide
CID 113103755
3-methyl-1-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145628
N-[(E)-3-methylsulfonylprop-2-enyl]piperidine-1-carboxamide
CID 170718582
N-ethenylazepane-1-carboxamide
CID 108909170

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylpyrrolidine-1-carboxamide?
The IUPAC name of N-prop-2-enylpyrrolidine-1-carboxamide (CID 102517238) is N-prop-2-enylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-prop-2-enylpyrrolidine-1-carboxamide?
The canonical SMILES for N-prop-2-enylpyrrolidine-1-carboxamide is C=CCNC(=O)N1CCCC1.
What is the InChIKey of N-prop-2-enylpyrrolidine-1-carboxamide?
The InChIKey is QWTVAHVMLYSIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-5-9-8(11)10-6-3-4-7-10/h2H,1,3-7H2,(H,9,11).
What are the key properties of N-prop-2-enylpyrrolidine-1-carboxamide?
N-prop-2-enylpyrrolidine-1-carboxamide has a molecular weight of 154.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylpyrrolidine-1-carboxamide is sourced from PubChem (CID 102517238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).