N-(1-prop-2-enylpyrrolidin-3-yl)propanamide

C10H18N2O — CID 21128374

IUPACN-(1-prop-2-enylpyrrolidin-3-yl)propanamide
SMILESC=CCN1CCC(NC(=O)CC)C1
InChIInChI=1S/C10H18N2O/c1-3-6-12-7-5-9(8-12)11-10(13)4-2/h3,9H,1,4-8H2,2H3,(H,11,13)
InChIKeySKIMQYRIXDFJIF-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.77
Rot. Bonds4

About N-(1-prop-2-enylpyrrolidin-3-yl)propanamide

N-(1-prop-2-enylpyrrolidin-3-yl)propanamide (PubChem CID 21128374) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-(1-prop-2-enylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-prop-2-enylpyrrolidin-3-yl)propanamide
PubChem CID21128374
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-(1-prop-2-enylpyrrolidin-3-yl)propanamide
SMILESC=CCN1CCC(NC(=O)CC)C1
InChIInChI=1S/C10H18N2O/c1-3-6-12-7-5-9(8-12)11-10(13)4-2/h3,9H,1,4-8H2,2H3,(H,11,13)
InChIKeySKIMQYRIXDFJIF-UHFFFAOYSA-N
XLogP0.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(prop-2-en-1-yl)ethanediamide
CID 3156727
1-[(3R)-3-aminopyrrolidin-1-yl]pent-4-en-1-one
CID 81469778
(R)-1-(3-Aminopyrrolidin-1-yl)prop-2-en-1-one
CID 94339940
N-(1-tert-butyl-4-fluoropyrrolidin-3-yl)prop-2-enamide
CID 146367147
N-(4-fluoro-1-methylpyrrolidin-3-yl)prop-2-enamide
CID 155030598
2-[methyl-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]-N-prop-2-enylacetamide
CID 60303442
N-[1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide
CID 154872121
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]but-3-enamide
CID 45182538
(S)-3-(allylamino)-1-methyl-2-pyrrolidinone
CID 95365704
N-(1-methylpyrrolidin-3-yl)butanamide
CID 18723360
N-(1-methylpyrrolidin-3-yl)propanamide
CID 18723369
N-(2-(Pyrrolidin-1-yl)ethyl)acrylamide
CID 20310798

Frequently Asked Questions

What is the IUPAC name of N-(1-prop-2-enylpyrrolidin-3-yl)propanamide?
The IUPAC name of N-(1-prop-2-enylpyrrolidin-3-yl)propanamide (CID 21128374) is N-(1-prop-2-enylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for N-(1-prop-2-enylpyrrolidin-3-yl)propanamide?
The canonical SMILES for N-(1-prop-2-enylpyrrolidin-3-yl)propanamide is C=CCN1CCC(NC(=O)CC)C1.
What is the InChIKey of N-(1-prop-2-enylpyrrolidin-3-yl)propanamide?
The InChIKey is SKIMQYRIXDFJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-6-12-7-5-9(8-12)11-10(13)4-2/h3,9H,1,4-8H2,2H3,(H,11,13).
What are the key properties of N-(1-prop-2-enylpyrrolidin-3-yl)propanamide?
N-(1-prop-2-enylpyrrolidin-3-yl)propanamide has a molecular weight of 182.27 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-prop-2-enylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 21128374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).