(Z)-3-amino-2,3-dichloroprop-2-enenitrile

C3H2Cl2N2 — CID 55290271

IUPAC(Z)-3-amino-2,3-dichloroprop-2-enenitrile
SMILESN#C/C(Cl)=C(\N)Cl
InChIInChI=1S/C3H2Cl2N2/c4-2(1-6)3(5)7/h7H2/b3-2+
InChIKeyPNKSPWGMYYNANA-NSCUHMNNSA-N
MW136.97 g/mol
LogP1.12
Rot. Bonds

About (Z)-3-amino-2,3-dichloroprop-2-enenitrile

(Z)-3-amino-2,3-dichloroprop-2-enenitrile (PubChem CID 55290271) has the molecular formula C3H2Cl2N2 and a molecular weight of 136.97 g/mol. Its IUPAC name is (Z)-3-amino-2,3-dichloroprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-amino-2,3-dichloroprop-2-enenitrile
PubChem CID55290271
Molecular FormulaC3H2Cl2N2
Molecular Weight136.97 g/mol
Exact Mass135.96
IUPAC Name(Z)-3-amino-2,3-dichloroprop-2-enenitrile
SMILESN#C/C(Cl)=C(\N)Cl
InChIInChI=1S/C3H2Cl2N2/c4-2(1-6)3(5)7/h7H2/b3-2+
InChIKeyPNKSPWGMYYNANA-NSCUHMNNSA-N
XLogP1.12
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.97
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 131868800
CID 131868800
(Z)-2,3-dichloro-3-isocyanoprop-2-enenitrile
CID 134987690
2-tert-butyl-3-chlorobut-2-enedinitrile
CID 139913052
2,3,5-trichloro-4-(1,3,4-trichloro-1,4-dicyanobuta-1,3-dien-2-yl)sulfanylhexa-2,4-dienedinitrile
CID 88710403
1,2-dichloroprop-1-en-1-amine
CID 140981161
oxalonitrile;thiourea
CID 160888969
2,2,2-trichloro-N'-cyanoethanimidamide
CID 2305420
3-amino-2-cyanoprop-2-enethioamide
CID 88527340
2-[chloro(cyano)methylidene]pentanoic acid
CID 87221585
carbonyl dichloride;cyanic acid
CID 174834820
1-cyano-N'-fluoromethanimidamide
CID 23233998
3-bromo-2-chloroprop-2-enenitrile
CID 54324787

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2,3-dichloroprop-2-enenitrile?
The IUPAC name of (Z)-3-amino-2,3-dichloroprop-2-enenitrile (CID 55290271) is (Z)-3-amino-2,3-dichloroprop-2-enenitrile.
What is the SMILES notation for (Z)-3-amino-2,3-dichloroprop-2-enenitrile?
The canonical SMILES for (Z)-3-amino-2,3-dichloroprop-2-enenitrile is N#C/C(Cl)=C(\N)Cl.
What is the InChIKey of (Z)-3-amino-2,3-dichloroprop-2-enenitrile?
The InChIKey is PNKSPWGMYYNANA-NSCUHMNNSA-N. The full InChI is InChI=1S/C3H2Cl2N2/c4-2(1-6)3(5)7/h7H2/b3-2+.
What are the key properties of (Z)-3-amino-2,3-dichloroprop-2-enenitrile?
(Z)-3-amino-2,3-dichloroprop-2-enenitrile has a molecular weight of 136.97 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2,3-dichloroprop-2-enenitrile is sourced from PubChem (CID 55290271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).