1-[2-(4-prop-1-en-2-ylphenyl)ethyl]aziridine

C13H17N — CID 87132038

IUPAC1-[2-(4-prop-1-en-2-ylphenyl)ethyl]aziridine
SMILESC=C(C)c1ccc(CCN2CC2)cc1
InChIInChI=1S/C13H17N/c1-11(2)13-5-3-12(4-6-13)7-8-14-9-10-14/h3-6H,1,7-10H2,2H3
InChIKeyPFVNXQQZGYIKJR-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.58
Rot. Bonds4

About 1-[2-(4-prop-1-en-2-ylphenyl)ethyl]aziridine

1-[2-(4-prop-1-en-2-ylphenyl)ethyl]aziridine (PubChem CID 87132038) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-[2-(4-prop-1-en-2-ylphenyl)ethyl]aziridine.

Molecular Properties

Compound Name1-[2-(4-prop-1-en-2-ylphenyl)ethyl]aziridine
PubChem CID87132038
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1-[2-(4-prop-1-en-2-ylphenyl)ethyl]aziridine
SMILESC=C(C)c1ccc(CCN2CC2)cc1
InChIInChI=1S/C13H17N/c1-11(2)13-5-3-12(4-6-13)7-8-14-9-10-14/h3-6H,1,7-10H2,2H3
InChIKeyPFVNXQQZGYIKJR-UHFFFAOYSA-N
XLogP2.58
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.58
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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Related Compounds

1-methyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine
CID 145147201
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone
CID 117368603
1-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene
CID 143231860
1-[2-(3-prop-1-en-2-ylphenyl)ethyl]pyrrolidine
CID 22250733
bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone
CID 57106697
4-[2-(4-ethylpiperazin-1-yl)ethyl]phenol
CID 82187948
1-prop-1-en-2-yl-4-[(4-propylphenyl)methyl]benzene
CID 153374408
1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine
CID 70460835
1-[2-(4-iodophenyl)ethyl]-4-methylpiperazine
CID 134846491
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]hydroxylamine
CID 143042806
1-(2-chloroprop-2-enyl)-4-(2-phenylethyl)piperazine
CID 47018464
ethyl 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-oxoacetate
CID 117489749

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-prop-1-en-2-ylphenyl)ethyl]aziridine?
The IUPAC name of 1-[2-(4-prop-1-en-2-ylphenyl)ethyl]aziridine (CID 87132038) is 1-[2-(4-prop-1-en-2-ylphenyl)ethyl]aziridine.
What is the SMILES notation for 1-[2-(4-prop-1-en-2-ylphenyl)ethyl]aziridine?
The canonical SMILES for 1-[2-(4-prop-1-en-2-ylphenyl)ethyl]aziridine is C=C(C)c1ccc(CCN2CC2)cc1.
What is the InChIKey of 1-[2-(4-prop-1-en-2-ylphenyl)ethyl]aziridine?
The InChIKey is PFVNXQQZGYIKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-11(2)13-5-3-12(4-6-13)7-8-14-9-10-14/h3-6H,1,7-10H2,2H3.
What are the key properties of 1-[2-(4-prop-1-en-2-ylphenyl)ethyl]aziridine?
1-[2-(4-prop-1-en-2-ylphenyl)ethyl]aziridine has a molecular weight of 187.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-prop-1-en-2-ylphenyl)ethyl]aziridine is sourced from PubChem (CID 87132038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).