N-but-2-enoylaziridine-1-carboxamide

C7H10N2O2 — CID 175035959

IUPACN-but-2-enoylaziridine-1-carboxamide
SMILESCC=CC(=O)NC(=O)N1CC1
InChIInChI=1S/C7H10N2O2/c1-2-3-6(10)8-7(11)9-4-5-9/h2-3H,4-5H2,1H3,(H,8,10,11)
InChIKeyKVIBWIMDKHCBOP-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.11
Rot. Bonds1

About N-but-2-enoylaziridine-1-carboxamide

N-but-2-enoylaziridine-1-carboxamide (PubChem CID 175035959) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is N-but-2-enoylaziridine-1-carboxamide.

Molecular Properties

Compound NameN-but-2-enoylaziridine-1-carboxamide
PubChem CID175035959
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC NameN-but-2-enoylaziridine-1-carboxamide
SMILESCC=CC(=O)NC(=O)N1CC1
InChIInChI=1S/C7H10N2O2/c1-2-3-6(10)8-7(11)9-4-5-9/h2-3H,4-5H2,1H3,(H,8,10,11)
InChIKeyKVIBWIMDKHCBOP-UHFFFAOYSA-N
XLogP0.11
TPSA49.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(morpholine-4-carbothioyl)but-2-enamide
CID 13494821
N,N'-bis[(E)-but-2-enoyl]oxamide
CID 22157614
4-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]-4-oxobut-2-enoic acid
CID 76948971
(E)-4-[(4-methylpiperidine-1-carbonyl)amino]-4-oxobut-2-enoic acid
CID 28746112
(Z)-N-[(Z)-but-2-en-2-yl]but-2-enamide
CID 130459282
4-methyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1,4-diazepane-1-carboxamide
CID 143501797
(E)-4-[(3-methylpyrrolidine-1-carbonyl)amino]-4-oxobut-2-enoic acid
CID 82234854
N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]pyrrolidine-1-carboxamide
CID 155020937
1-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]ethanone
CID 144786751
(E)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)but-2-enamide
CID 115596720
N-[2-(4-methylpiperazin-1-yl)ethyl]but-2-enamide
CID 112724016
6-oxo-6-[(4-propan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid
CID 43585543

Frequently Asked Questions

What is the IUPAC name of N-but-2-enoylaziridine-1-carboxamide?
The IUPAC name of N-but-2-enoylaziridine-1-carboxamide (CID 175035959) is N-but-2-enoylaziridine-1-carboxamide.
What is the SMILES notation for N-but-2-enoylaziridine-1-carboxamide?
The canonical SMILES for N-but-2-enoylaziridine-1-carboxamide is CC=CC(=O)NC(=O)N1CC1.
What is the InChIKey of N-but-2-enoylaziridine-1-carboxamide?
The InChIKey is KVIBWIMDKHCBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-3-6(10)8-7(11)9-4-5-9/h2-3H,4-5H2,1H3,(H,8,10,11).
What are the key properties of N-but-2-enoylaziridine-1-carboxamide?
N-but-2-enoylaziridine-1-carboxamide has a molecular weight of 154.17 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-enoylaziridine-1-carboxamide is sourced from PubChem (CID 175035959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).