1-benzyl-N-(cyclopropylmethyl)aziridine-2-carboxamide

C14H18N2O — CID 5188811

IUPAC1-benzyl-N-(cyclopropylmethyl)aziridine-2-carboxamide
SMILESO=C(NCC1CC1)C1CN1Cc1ccccc1
InChIInChI=1S/C14H18N2O/c17-14(15-8-11-6-7-11)13-10-16(13)9-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,15,17)
InChIKeyLDYXFCXMBCAYIR-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.40
Rot. Bonds5

About 1-benzyl-N-(cyclopropylmethyl)aziridine-2-carboxamide

1-benzyl-N-(cyclopropylmethyl)aziridine-2-carboxamide (PubChem CID 5188811) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-benzyl-N-(cyclopropylmethyl)aziridine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(cyclopropylmethyl)aziridine-2-carboxamide
PubChem CID5188811
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-benzyl-N-(cyclopropylmethyl)aziridine-2-carboxamide
SMILESO=C(NCC1CC1)C1CN1Cc1ccccc1
InChIInChI=1S/C14H18N2O/c17-14(15-8-11-6-7-11)13-10-16(13)9-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,15,17)
InChIKeyLDYXFCXMBCAYIR-UHFFFAOYSA-N
XLogP1.40
TPSA32.11 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.40
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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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(cyclopropylmethyl)aziridine-2-carboxamide?
The IUPAC name of 1-benzyl-N-(cyclopropylmethyl)aziridine-2-carboxamide (CID 5188811) is 1-benzyl-N-(cyclopropylmethyl)aziridine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-(cyclopropylmethyl)aziridine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-(cyclopropylmethyl)aziridine-2-carboxamide is O=C(NCC1CC1)C1CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(cyclopropylmethyl)aziridine-2-carboxamide?
The InChIKey is LDYXFCXMBCAYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14(15-8-11-6-7-11)13-10-16(13)9-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,15,17).
What are the key properties of 1-benzyl-N-(cyclopropylmethyl)aziridine-2-carboxamide?
1-benzyl-N-(cyclopropylmethyl)aziridine-2-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(cyclopropylmethyl)aziridine-2-carboxamide is sourced from PubChem (CID 5188811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).