(Z)-3-(3,4-dichlorophenyl)-3-(methylamino)prop-2-enenitrile

C10H8Cl2N2 — CID 67809240

IUPAC(Z)-3-(3,4-dichlorophenyl)-3-(methylamino)prop-2-enenitrile
SMILESCN/C(=C\C#N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H8Cl2N2/c1-14-10(4-5-13)7-2-3-8(11)9(12)6-7/h2-4,6,14H,1H3/b10-4-
InChIKeyGSPVTGCIMUXMGN-WMZJFQQLSA-N
MW227.09 g/mol
LogP3.08
Rot. Bonds2

About (Z)-3-(3,4-dichlorophenyl)-3-(methylamino)prop-2-enenitrile

(Z)-3-(3,4-dichlorophenyl)-3-(methylamino)prop-2-enenitrile (PubChem CID 67809240) has the molecular formula C10H8Cl2N2 and a molecular weight of 227.09 g/mol. Its IUPAC name is (Z)-3-(3,4-dichlorophenyl)-3-(methylamino)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(3,4-dichlorophenyl)-3-(methylamino)prop-2-enenitrile
PubChem CID67809240
Molecular FormulaC10H8Cl2N2
Molecular Weight227.09 g/mol
Exact Mass226.01
IUPAC Name(Z)-3-(3,4-dichlorophenyl)-3-(methylamino)prop-2-enenitrile
SMILESCN/C(=C\C#N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H8Cl2N2/c1-14-10(4-5-13)7-2-3-8(11)9(12)6-7/h2-4,6,14H,1H3/b10-4-
InChIKeyGSPVTGCIMUXMGN-WMZJFQQLSA-N
XLogP3.08
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.09
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(3,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile
CID 12043333
3,4-dichloro-N-(1-cyano-2-methylpropyl)benzamide
CID 63928748
1-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)ethylideneamino]ethanimine
CID 2827019
2-[1-(3,4-dichlorophenyl)propylidene]propanedinitrile
CID 163455880
methyl 4-[4-(3,4-dichlorobenzoyl)benzoyl]benzoate
CID 10409472
(Z)-3-chloro-3-(3-chloro-4-fluorophenyl)prop-2-enenitrile
CID 82879399
3-(3,4-dichlorophenyl)-3-oxopropanenitrile
CID 2758063
N-[(E)-1-(4-chlorophenyl)-2-cyanoethenyl]acetamide
CID 121221706
(2S)-2-(3,4-dichlorophenyl)-2-(methylamino)acetonitrile
CID 28899008
4-[(E)-1-bromoprop-1-en-2-yl]-1,2-dichlorobenzene
CID 87184625
2-(3,4-dichlorobenzoyl)pentanenitrile
CID 79405268
3,4-dichloro-N-[cyano(ethoxy)methyl]benzamide
CID 131860579

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,4-dichlorophenyl)-3-(methylamino)prop-2-enenitrile?
The IUPAC name of (Z)-3-(3,4-dichlorophenyl)-3-(methylamino)prop-2-enenitrile (CID 67809240) is (Z)-3-(3,4-dichlorophenyl)-3-(methylamino)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(3,4-dichlorophenyl)-3-(methylamino)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(3,4-dichlorophenyl)-3-(methylamino)prop-2-enenitrile is CN/C(=C\C#N)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (Z)-3-(3,4-dichlorophenyl)-3-(methylamino)prop-2-enenitrile?
The InChIKey is GSPVTGCIMUXMGN-WMZJFQQLSA-N. The full InChI is InChI=1S/C10H8Cl2N2/c1-14-10(4-5-13)7-2-3-8(11)9(12)6-7/h2-4,6,14H,1H3/b10-4-.
What are the key properties of (Z)-3-(3,4-dichlorophenyl)-3-(methylamino)prop-2-enenitrile?
(Z)-3-(3,4-dichlorophenyl)-3-(methylamino)prop-2-enenitrile has a molecular weight of 227.09 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3,4-dichlorophenyl)-3-(methylamino)prop-2-enenitrile is sourced from PubChem (CID 67809240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).