(2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile

C8H10N2 — CID 142139467

IUPAC(2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile
SMILESC=C/C(N)=C(C#N)\C=C/C
InChIInChI=1S/C8H10N2/c1-3-5-7(6-9)8(10)4-2/h3-5H,2,10H2,1H3/b5-3-,8-7-
InChIKeyMMRKNIHWYRXVOI-OVRZELKPSA-N
MW134.18 g/mol
LogP1.48
Rot. Bonds2

About (2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile

(2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile (PubChem CID 142139467) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile.

Molecular Properties

Compound Name(2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile
PubChem CID142139467
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile
SMILESC=C/C(N)=C(C#N)\C=C/C
InChIInChI=1S/C8H10N2/c1-3-5-7(6-9)8(10)4-2/h3-5H,2,10H2,1H3/b5-3-,8-7-
InChIKeyMMRKNIHWYRXVOI-OVRZELKPSA-N
XLogP1.48
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-aminoprop-2-enylidene)propanedinitrile
CID 18620400
(2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienenitrile
CID 143717901
but-2-enoic acid;2-ethenyl-3-methylpenta-2,4-dienenitrile
CID 157132961
(2Z,4Z)-3-(chloromethyl)-2-ethenylhexa-2,4-dienenitrile
CID 163485118
(3Z)-4-amino-3-methoxy-2-methylidenehexa-3,5-dienenitrile
CID 166130684
(3Z,5Z)-4-prop-1-en-2-ylhepta-1,3,5-trien-3-amine
CID 155176361
(2Z,4E,6Z)-5-ethenylocta-2,4,6-trien-4-amine
CID 170027215
ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile
CID 143537599
(Z)-N'-[(E)-2-amino-2-bromo-1-cyanoethenyl]but-2-enimidamide
CID 166992371
(3Z)-hexa-1,3,5-triene-1,2,3-tricarbonitrile
CID 144961491
(E)-2-cyanobut-2-enamide
CID 88621085
(5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene
CID 143367842

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile?
The IUPAC name of (2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile (CID 142139467) is (2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile.
What is the SMILES notation for (2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile?
The canonical SMILES for (2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile is C=C/C(N)=C(C#N)\C=C/C.
What is the InChIKey of (2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile?
The InChIKey is MMRKNIHWYRXVOI-OVRZELKPSA-N. The full InChI is InChI=1S/C8H10N2/c1-3-5-7(6-9)8(10)4-2/h3-5H,2,10H2,1H3/b5-3-,8-7-.
What are the key properties of (2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile?
(2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile has a molecular weight of 134.18 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile is sourced from PubChem (CID 142139467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).