2-[bis(prop-2-enyl)amino]-2-(2,5-dimethoxyphenyl)acetonitrile

C16H20N2O2 — CID 84757362

IUPAC2-[bis(prop-2-enyl)amino]-2-(2,5-dimethoxyphenyl)acetonitrile
SMILESC=CCN(CC=C)C(C#N)c1cc(OC)ccc1OC
InChIInChI=1S/C16H20N2O2/c1-5-9-18(10-6-2)15(12-17)14-11-13(19-3)7-8-16(14)20-4/h5-8,11,15H,1-2,9-10H2,3-4H3
InChIKeyWKAVYCAREUYBOZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.94
Rot. Bonds8

About 2-[bis(prop-2-enyl)amino]-2-(2,5-dimethoxyphenyl)acetonitrile

2-[bis(prop-2-enyl)amino]-2-(2,5-dimethoxyphenyl)acetonitrile (PubChem CID 84757362) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-2-(2,5-dimethoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-2-(2,5-dimethoxyphenyl)acetonitrile
PubChem CID84757362
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[bis(prop-2-enyl)amino]-2-(2,5-dimethoxyphenyl)acetonitrile
SMILESC=CCN(CC=C)C(C#N)c1cc(OC)ccc1OC
InChIInChI=1S/C16H20N2O2/c1-5-9-18(10-6-2)15(12-17)14-11-13(19-3)7-8-16(14)20-4/h5-8,11,15H,1-2,9-10H2,3-4H3
InChIKeyWKAVYCAREUYBOZ-UHFFFAOYSA-N
XLogP2.94
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethoxyphenyl)-2-ethoxyacetonitrile
CID 66072961
tert-butyl N-[cyano-(2,5-dimethoxyphenyl)methyl]-N-methylcarbamate
CID 82124820
3-amino-3-(2,5-dimethoxyphenyl)-2,2-dimethylpropanenitrile
CID 116940352
2-[bis(prop-2-enyl)amino]-2-(2,4-dichlorophenyl)acetonitrile
CID 84757356
3-cyano-3-(2,5-dimethoxyphenyl)propanoic acid
CID 82129347
(1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171200247
2-(2,4-dimethoxyphenyl)-2-(prop-2-enylamino)acetonitrile
CID 62355470
2-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]acetic acid
CID 39364528
2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
2-(furan-2-yl)-2-(4-methoxy-N-prop-2-enylanilino)acetonitrile
CID 10084391
2-(2,5-dimethoxyphenyl)propanal
CID 596766
3-(4-tert-butylphenyl)-2-(2,5-dimethoxyphenyl)propanenitrile
CID 82140137

Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]-2-(2,5-dimethoxyphenyl)acetonitrile?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-2-(2,5-dimethoxyphenyl)acetonitrile (CID 84757362) is 2-[bis(prop-2-enyl)amino]-2-(2,5-dimethoxyphenyl)acetonitrile.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-2-(2,5-dimethoxyphenyl)acetonitrile?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-2-(2,5-dimethoxyphenyl)acetonitrile is C=CCN(CC=C)C(C#N)c1cc(OC)ccc1OC.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-2-(2,5-dimethoxyphenyl)acetonitrile?
The InChIKey is WKAVYCAREUYBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-5-9-18(10-6-2)15(12-17)14-11-13(19-3)7-8-16(14)20-4/h5-8,11,15H,1-2,9-10H2,3-4H3.
What are the key properties of 2-[bis(prop-2-enyl)amino]-2-(2,5-dimethoxyphenyl)acetonitrile?
2-[bis(prop-2-enyl)amino]-2-(2,5-dimethoxyphenyl)acetonitrile has a molecular weight of 272.35 g/mol, XLogP of 2.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]-2-(2,5-dimethoxyphenyl)acetonitrile is sourced from PubChem (CID 84757362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).