1-[(Z)-2-phenylprop-1-enyl]aziridine

C11H13N — CID 87132052

IUPAC1-[(Z)-2-phenylprop-1-enyl]aziridine
SMILESC/C(=C/N1CC1)c1ccccc1
InChIInChI=1S/C11H13N/c1-10(9-12-7-8-12)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3/b10-9-
InChIKeyDCJRMROGBIRQJS-KTKRTIGZSA-N
MW159.23 g/mol
LogP2.36
Rot. Bonds2

About 1-[(Z)-2-phenylprop-1-enyl]aziridine

1-[(Z)-2-phenylprop-1-enyl]aziridine (PubChem CID 87132052) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-[(Z)-2-phenylprop-1-enyl]aziridine.

Molecular Properties

Compound Name1-[(Z)-2-phenylprop-1-enyl]aziridine
PubChem CID87132052
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name1-[(Z)-2-phenylprop-1-enyl]aziridine
SMILESC/C(=C/N1CC1)c1ccccc1
InChIInChI=1S/C11H13N/c1-10(9-12-7-8-12)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3/b10-9-
InChIKeyDCJRMROGBIRQJS-KTKRTIGZSA-N
XLogP2.36
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(Z)-2-phenylprop-1-enyl]aziridine?
The IUPAC name of 1-[(Z)-2-phenylprop-1-enyl]aziridine (CID 87132052) is 1-[(Z)-2-phenylprop-1-enyl]aziridine.
What is the SMILES notation for 1-[(Z)-2-phenylprop-1-enyl]aziridine?
The canonical SMILES for 1-[(Z)-2-phenylprop-1-enyl]aziridine is C/C(=C/N1CC1)c1ccccc1.
What is the InChIKey of 1-[(Z)-2-phenylprop-1-enyl]aziridine?
The InChIKey is DCJRMROGBIRQJS-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H13N/c1-10(9-12-7-8-12)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3/b10-9-.
What are the key properties of 1-[(Z)-2-phenylprop-1-enyl]aziridine?
1-[(Z)-2-phenylprop-1-enyl]aziridine has a molecular weight of 159.23 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-phenylprop-1-enyl]aziridine is sourced from PubChem (CID 87132052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).