2-[2-(1-aminoprop-2-enyl)phenyl]acetonitrile

C11H12N2 — CID 55283390

IUPAC2-[2-(1-aminoprop-2-enyl)phenyl]acetonitrile
SMILESC=CC(N)c1ccccc1CC#N
InChIInChI=1S/C11H12N2/c1-2-11(13)10-6-4-3-5-9(10)7-8-12/h2-6,11H,1,7,13H2
InChIKeyDBQLOKHJMWGGOC-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.94
Rot. Bonds3

About 2-[2-(1-aminoprop-2-enyl)phenyl]acetonitrile

2-[2-(1-aminoprop-2-enyl)phenyl]acetonitrile (PubChem CID 55283390) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-[2-(1-aminoprop-2-enyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(1-aminoprop-2-enyl)phenyl]acetonitrile
PubChem CID55283390
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name2-[2-(1-aminoprop-2-enyl)phenyl]acetonitrile
SMILESC=CC(N)c1ccccc1CC#N
InChIInChI=1S/C11H12N2/c1-2-11(13)10-6-4-3-5-9(10)7-8-12/h2-6,11H,1,7,13H2
InChIKeyDBQLOKHJMWGGOC-UHFFFAOYSA-N
XLogP1.94
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-1-aminoprop-2-enyl]benzonitrile
CID 131090476
2-[(1S)-1-aminoprop-2-enyl]benzonitrile;hydrochloride
CID 171221589
2-[2-(1-amino-3-hydroxypropyl)phenyl]acetonitrile
CID 55273402
2-amino-2-[2-(cyanomethyl)phenyl]acetic acid
CID 55272286
2-[2-[(1R,2R)-1-amino-2-hydroxypropyl]phenyl]acetonitrile
CID 130639969
2-[(1R)-1-aminoprop-2-enyl]-6-fluorobenzonitrile
CID 55274364
3-[(1R)-1-aminoprop-2-enyl]furan-2-carbonitrile
CID 130665425
(1S)-1-(2-methoxyphenyl)prop-2-en-1-amine
CID 124509135
1-(1-aminoprop-2-enyl)anthracene-9,10-dione
CID 70616094
(1R)-1-(2,3-difluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171204130
1-(3-bromo-2-fluorophenyl)prop-2-en-1-amine
CID 103692976
3-[(1S)-1-aminoprop-2-enyl]benzene-1,2-diol
CID 130642432

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoprop-2-enyl)phenyl]acetonitrile?
The IUPAC name of 2-[2-(1-aminoprop-2-enyl)phenyl]acetonitrile (CID 55283390) is 2-[2-(1-aminoprop-2-enyl)phenyl]acetonitrile.
What is the SMILES notation for 2-[2-(1-aminoprop-2-enyl)phenyl]acetonitrile?
The canonical SMILES for 2-[2-(1-aminoprop-2-enyl)phenyl]acetonitrile is C=CC(N)c1ccccc1CC#N.
What is the InChIKey of 2-[2-(1-aminoprop-2-enyl)phenyl]acetonitrile?
The InChIKey is DBQLOKHJMWGGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-11(13)10-6-4-3-5-9(10)7-8-12/h2-6,11H,1,7,13H2.
What are the key properties of 2-[2-(1-aminoprop-2-enyl)phenyl]acetonitrile?
2-[2-(1-aminoprop-2-enyl)phenyl]acetonitrile has a molecular weight of 172.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoprop-2-enyl)phenyl]acetonitrile is sourced from PubChem (CID 55283390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).