(Z)-3-amino-2-[(Z)-3-bromoprop-1-enyl]pent-2-enenitrile

C8H11BrN2 — CID 163689773

IUPAC(Z)-3-amino-2-[(Z)-3-bromoprop-1-enyl]pent-2-enenitrile
SMILESCC/C(N)=C(C#N)\C=C/CBr
InChIInChI=1S/C8H11BrN2/c1-2-8(11)7(6-10)4-3-5-9/h3-4H,2,5,11H2,1H3/b4-3-,8-7-
InChIKeyJRZDUUGPIHQCDK-KPDBFRNYSA-N
MW215.09 g/mol
LogP2.08
Rot. Bonds3

About (Z)-3-amino-2-[(Z)-3-bromoprop-1-enyl]pent-2-enenitrile

(Z)-3-amino-2-[(Z)-3-bromoprop-1-enyl]pent-2-enenitrile (PubChem CID 163689773) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is (Z)-3-amino-2-[(Z)-3-bromoprop-1-enyl]pent-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-amino-2-[(Z)-3-bromoprop-1-enyl]pent-2-enenitrile
PubChem CID163689773
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name(Z)-3-amino-2-[(Z)-3-bromoprop-1-enyl]pent-2-enenitrile
SMILESCC/C(N)=C(C#N)\C=C/CBr
InChIInChI=1S/C8H11BrN2/c1-2-8(11)7(6-10)4-3-5-9/h3-4H,2,5,11H2,1H3/b4-3-,8-7-
InChIKeyJRZDUUGPIHQCDK-KPDBFRNYSA-N
XLogP2.08
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,4E)-4-(1-aminoethylidene)-3-methylpent-2-enedinitrile
CID 55290832
4-(1-Aminoethylidene)-3-methylpent-2-enedinitrile
CID 73667493
(2E,3E)-4-amino-2-ethylidenehexa-3,5-dienenitrile
CID 89066197
(3E,5Z)-4-amino-2-methylidenehepta-3,5-dienenitrile
CID 89596201
(2Z,3E)-2-(1-aminoethylidene)-3-methylhexa-3,5-dienenitrile
CID 118975128
(Z)-3-amino-2-ethenyl-4-methylpent-2-enenitrile
CID 130268772
(2E)-4-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile
CID 134293680
(Z,2E)-2-(1-aminoethylidene)pent-3-enenitrile
CID 134445383
(E)-2-[(Z)-2-aminoprop-1-enyl]pent-2-enenitrile
CID 134445420
(2Z)-2-[(E)-2-aminoprop-1-enyl]-3-bromopenta-2,4-dienenitrile
CID 134514012
(2E,4Z,6E)-7-amino-4-methylocta-2,4,6-trienenitrile
CID 137427567
(2Z,4Z)-3-amino-2,6-dimethylhepta-2,4,6-trienenitrile
CID 137434636

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-[(Z)-3-bromoprop-1-enyl]pent-2-enenitrile?
The IUPAC name of (Z)-3-amino-2-[(Z)-3-bromoprop-1-enyl]pent-2-enenitrile (CID 163689773) is (Z)-3-amino-2-[(Z)-3-bromoprop-1-enyl]pent-2-enenitrile.
What is the SMILES notation for (Z)-3-amino-2-[(Z)-3-bromoprop-1-enyl]pent-2-enenitrile?
The canonical SMILES for (Z)-3-amino-2-[(Z)-3-bromoprop-1-enyl]pent-2-enenitrile is CC/C(N)=C(C#N)\C=C/CBr.
What is the InChIKey of (Z)-3-amino-2-[(Z)-3-bromoprop-1-enyl]pent-2-enenitrile?
The InChIKey is JRZDUUGPIHQCDK-KPDBFRNYSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-2-8(11)7(6-10)4-3-5-9/h3-4H,2,5,11H2,1H3/b4-3-,8-7-.
What are the key properties of (Z)-3-amino-2-[(Z)-3-bromoprop-1-enyl]pent-2-enenitrile?
(Z)-3-amino-2-[(Z)-3-bromoprop-1-enyl]pent-2-enenitrile has a molecular weight of 215.09 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-[(Z)-3-bromoprop-1-enyl]pent-2-enenitrile is sourced from PubChem (CID 163689773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).