N-(1-pyrrolidin-1-ylpropan-2-yl)prop-2-enamide

C10H18N2O — CID 61473845

IUPACN-(1-pyrrolidin-1-ylpropan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)CN1CCCC1
InChIInChI=1S/C10H18N2O/c1-3-10(13)11-9(2)8-12-6-4-5-7-12/h3,9H,1,4-8H2,2H3,(H,11,13)
InChIKeyKCQKVDQTPSMAFZ-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.77
Rot. Bonds4

About N-(1-pyrrolidin-1-ylpropan-2-yl)prop-2-enamide

N-(1-pyrrolidin-1-ylpropan-2-yl)prop-2-enamide (PubChem CID 61473845) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-(1-pyrrolidin-1-ylpropan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-pyrrolidin-1-ylpropan-2-yl)prop-2-enamide
PubChem CID61473845
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-(1-pyrrolidin-1-ylpropan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)CN1CCCC1
InChIInChI=1S/C10H18N2O/c1-3-10(13)11-9(2)8-12-6-4-5-7-12/h3,9H,1,4-8H2,2H3,(H,11,13)
InChIKeyKCQKVDQTPSMAFZ-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-N-[(2S)-1-(azepan-1-yl)propan-2-yl]-2-hydroxyiminoacetamide
CID 138652142
N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217024
N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-1-carboxamide
CID 115590525
N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide
CID 115583840
N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115579823
4-methyl-5-pyrrolidin-1-ylpent-1-en-3-one
CID 90939236
1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590502
1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 115579826
4-oxo-4-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)but-2-enoic acid
CID 76905443
2-methyl-3-oxo-3-(1-piperidin-1-ylpropan-2-ylamino)propanoic acid
CID 114898104
2-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
CID 43695360
4-hydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide
CID 79192946

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrrolidin-1-ylpropan-2-yl)prop-2-enamide?
The IUPAC name of N-(1-pyrrolidin-1-ylpropan-2-yl)prop-2-enamide (CID 61473845) is N-(1-pyrrolidin-1-ylpropan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(1-pyrrolidin-1-ylpropan-2-yl)prop-2-enamide?
The canonical SMILES for N-(1-pyrrolidin-1-ylpropan-2-yl)prop-2-enamide is C=CC(=O)NC(C)CN1CCCC1.
What is the InChIKey of N-(1-pyrrolidin-1-ylpropan-2-yl)prop-2-enamide?
The InChIKey is KCQKVDQTPSMAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-10(13)11-9(2)8-12-6-4-5-7-12/h3,9H,1,4-8H2,2H3,(H,11,13).
What are the key properties of N-(1-pyrrolidin-1-ylpropan-2-yl)prop-2-enamide?
N-(1-pyrrolidin-1-ylpropan-2-yl)prop-2-enamide 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-pyrrolidin-1-ylpropan-2-yl)prop-2-enamide is sourced from PubChem (CID 61473845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).