1-(1-phenylethyl)aziridine-2-carboxamide

C11H14N2O — CID 3891776

IUPAC1-(1-phenylethyl)aziridine-2-carboxamide
SMILESCC(c1ccccc1)N1CC1C(N)=O
InChIInChI=1S/C11H14N2O/c1-8(9-5-3-2-4-6-9)13-7-10(13)11(12)14/h2-6,8,10H,7H2,1H3,(H2,12,14)
InChIKeyPUPRTGJZBLTWDQ-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.92
Rot. Bonds3

About 1-(1-phenylethyl)aziridine-2-carboxamide

1-(1-phenylethyl)aziridine-2-carboxamide (PubChem CID 3891776) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(1-phenylethyl)aziridine-2-carboxamide.

Molecular Properties

Compound Name1-(1-phenylethyl)aziridine-2-carboxamide
PubChem CID3891776
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(1-phenylethyl)aziridine-2-carboxamide
SMILESCC(c1ccccc1)N1CC1C(N)=O
InChIInChI=1S/C11H14N2O/c1-8(9-5-3-2-4-6-9)13-7-10(13)11(12)14/h2-6,8,10H,7H2,1H3,(H2,12,14)
InChIKeyPUPRTGJZBLTWDQ-UHFFFAOYSA-N
XLogP0.92
TPSA46.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[(2S)-1-[(1S)-1-phenylethyl]aziridin-2-yl]propan-1-one
CID 131856193
2-methyl-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-1-one
CID 10965971
1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 140759748
[(1R)-1-phenylethyl] (2R)-1-[(1R)-1-phenylethyl]aziridine-2-carboxylate
CID 134939139
tert-butyl 1-[(1S)-1-phenylethyl]aziridine-2-carboxylate
CID 101000098
(2R)-N-methoxy-N-methyl-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide
CID 102402921
1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]hexadecan-1-one
CID 11783983
(2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid
CID 21308199
[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]-(1,3-thiazol-2-yl)methanone
CID 11128993
1-[(2-cyanoaziridin-1-yl)-phenylmethyl]aziridine-2-carboxamide
CID 20511111
methyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 85397681
2-phenyl-1-[(1S)-1-phenylethyl]aziridine
CID 71369134

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)aziridine-2-carboxamide?
The IUPAC name of 1-(1-phenylethyl)aziridine-2-carboxamide (CID 3891776) is 1-(1-phenylethyl)aziridine-2-carboxamide.
What is the SMILES notation for 1-(1-phenylethyl)aziridine-2-carboxamide?
The canonical SMILES for 1-(1-phenylethyl)aziridine-2-carboxamide is CC(c1ccccc1)N1CC1C(N)=O.
What is the InChIKey of 1-(1-phenylethyl)aziridine-2-carboxamide?
The InChIKey is PUPRTGJZBLTWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8(9-5-3-2-4-6-9)13-7-10(13)11(12)14/h2-6,8,10H,7H2,1H3,(H2,12,14).
What are the key properties of 1-(1-phenylethyl)aziridine-2-carboxamide?
1-(1-phenylethyl)aziridine-2-carboxamide has a molecular weight of 190.25 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)aziridine-2-carboxamide is sourced from PubChem (CID 3891776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).