(Z)-2-(aminomethyl)-3-chloro-3-phenylprop-2-enenitrile

C10H9ClN2 — CID 143141101

IUPAC(Z)-2-(aminomethyl)-3-chloro-3-phenylprop-2-enenitrile
SMILESN#C/C(CN)=C(\Cl)c1ccccc1
InChIInChI=1S/C10H9ClN2/c11-10(9(6-12)7-13)8-4-2-1-3-5-8/h1-5H,6,12H2/b10-9-
InChIKeyBTKCRJJWWQXSDT-KTKRTIGZSA-N
MW192.65 g/mol
LogP2.12
Rot. Bonds2

About (Z)-2-(aminomethyl)-3-chloro-3-phenylprop-2-enenitrile

(Z)-2-(aminomethyl)-3-chloro-3-phenylprop-2-enenitrile (PubChem CID 143141101) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is (Z)-2-(aminomethyl)-3-chloro-3-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(aminomethyl)-3-chloro-3-phenylprop-2-enenitrile
PubChem CID143141101
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name(Z)-2-(aminomethyl)-3-chloro-3-phenylprop-2-enenitrile
SMILESN#C/C(CN)=C(\Cl)c1ccccc1
InChIInChI=1S/C10H9ClN2/c11-10(9(6-12)7-13)8-4-2-1-3-5-8/h1-5H,6,12H2/b10-9-
InChIKeyBTKCRJJWWQXSDT-KTKRTIGZSA-N
XLogP2.12
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.12
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)-3-chloro-2,3-diphenylprop-2-enenitrile
CID 21395317
(Z)-2-butyl-3-phenylhept-2-enenitrile
CID 164676180
[(Z)-1-chloro-2-iodo-2-phenylethenyl]benzene
CID 12555898
benzene;3,3-diphenylprop-2-enenitrile
CID 174934225
(E)-3-chloro-3-iodo-2-phenylprop-2-enenitrile
CID 134893810
2-[chloro-(3-chlorophenyl)methylidene]butanenitrile
CID 76922297
2-[chloro-(4-iodophenyl)methylidene]butanenitrile
CID 76922680
(Z)-3-phenyl-2-propylhex-2-enenitrile
CID 101359460
(2,2-dibromo-1-chloroethenyl)benzene
CID 154173711
[(E)-1,2-dichloro-2-ethylselanylethenyl]benzene
CID 10588787
(Z)-3-cyano-2-phenylprop-2-enoic acid
CID 18415171
(Z)-3-hydroxy-2-methyl-3-phenylprop-2-enenitrile
CID 102248734

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(aminomethyl)-3-chloro-3-phenylprop-2-enenitrile?
The IUPAC name of (Z)-2-(aminomethyl)-3-chloro-3-phenylprop-2-enenitrile (CID 143141101) is (Z)-2-(aminomethyl)-3-chloro-3-phenylprop-2-enenitrile.
What is the SMILES notation for (Z)-2-(aminomethyl)-3-chloro-3-phenylprop-2-enenitrile?
The canonical SMILES for (Z)-2-(aminomethyl)-3-chloro-3-phenylprop-2-enenitrile is N#C/C(CN)=C(\Cl)c1ccccc1.
What is the InChIKey of (Z)-2-(aminomethyl)-3-chloro-3-phenylprop-2-enenitrile?
The InChIKey is BTKCRJJWWQXSDT-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H9ClN2/c11-10(9(6-12)7-13)8-4-2-1-3-5-8/h1-5H,6,12H2/b10-9-.
What are the key properties of (Z)-2-(aminomethyl)-3-chloro-3-phenylprop-2-enenitrile?
(Z)-2-(aminomethyl)-3-chloro-3-phenylprop-2-enenitrile has a molecular weight of 192.65 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(aminomethyl)-3-chloro-3-phenylprop-2-enenitrile is sourced from PubChem (CID 143141101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).