2-[bis(prop-2-enyl)amino]-2-(2,4-dichlorophenyl)acetonitrile

C14H14Cl2N2 — CID 84757356

IUPAC2-[bis(prop-2-enyl)amino]-2-(2,4-dichlorophenyl)acetonitrile
SMILESC=CCN(CC=C)C(C#N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2/c1-3-7-18(8-4-2)14(10-17)12-6-5-11(15)9-13(12)16/h3-6,9,14H,1-2,7-8H2
InChIKeyNDGNVDNLMMHGSY-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.23
Rot. Bonds6

About 2-[bis(prop-2-enyl)amino]-2-(2,4-dichlorophenyl)acetonitrile

2-[bis(prop-2-enyl)amino]-2-(2,4-dichlorophenyl)acetonitrile (PubChem CID 84757356) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-2-(2,4-dichlorophenyl)acetonitrile.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-2-(2,4-dichlorophenyl)acetonitrile
PubChem CID84757356
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name2-[bis(prop-2-enyl)amino]-2-(2,4-dichlorophenyl)acetonitrile
SMILESC=CCN(CC=C)C(C#N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2/c1-3-7-18(8-4-2)14(10-17)12-6-5-11(15)9-13(12)16/h3-6,9,14H,1-2,7-8H2
InChIKeyNDGNVDNLMMHGSY-UHFFFAOYSA-N
XLogP4.23
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(prop-2-enyl)amino]-2-(2-chlorophenyl)acetonitrile
CID 84757347
2-[bis(prop-2-enyl)amino]-2-(2-bromophenyl)acetonitrile
CID 84757361
2-[butyl(methyl)amino]-2-(2,4-dichlorophenyl)acetonitrile
CID 84757701
2-[bis(prop-2-enyl)amino]-2-(2,5-dimethoxyphenyl)acetonitrile
CID 84757362
N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 3936376
2,4-dichloro-1-[(3S)-hex-5-en-3-yl]benzene
CID 124548037
1-(1-bromopent-4-en-2-yl)-2,4-dichlorobenzene
CID 141179142
2-[bis(prop-2-enyl)amino]-2-[4-(diethylamino)phenyl]acetonitrile
CID 84757349
2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile
CID 43115042
(3R)-3-cyano-3-(2,4-dichlorophenyl)propanoic acid
CID 92982599
3-(2,4-dichlorophenyl)butanenitrile;ethane
CID 145081047
4-(1-aminobut-3-enyl)-3-chlorobenzonitrile
CID 130062377

Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]-2-(2,4-dichlorophenyl)acetonitrile?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-2-(2,4-dichlorophenyl)acetonitrile (CID 84757356) is 2-[bis(prop-2-enyl)amino]-2-(2,4-dichlorophenyl)acetonitrile.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-2-(2,4-dichlorophenyl)acetonitrile?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-2-(2,4-dichlorophenyl)acetonitrile is C=CCN(CC=C)C(C#N)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-2-(2,4-dichlorophenyl)acetonitrile?
The InChIKey is NDGNVDNLMMHGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-3-7-18(8-4-2)14(10-17)12-6-5-11(15)9-13(12)16/h3-6,9,14H,1-2,7-8H2.
What are the key properties of 2-[bis(prop-2-enyl)amino]-2-(2,4-dichlorophenyl)acetonitrile?
2-[bis(prop-2-enyl)amino]-2-(2,4-dichlorophenyl)acetonitrile has a molecular weight of 281.19 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]-2-(2,4-dichlorophenyl)acetonitrile is sourced from PubChem (CID 84757356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).