(E)-3-amino-3-[2-[(Z)-prop-1-enyl]hydrazinyl]prop-2-enenitrile

C6H10N4 — CID 163747255

IUPAC(E)-3-amino-3-[2-[(Z)-prop-1-enyl]hydrazinyl]prop-2-enenitrile
SMILESC/C=C\NN/C(N)=C/C#N
InChIInChI=1S/C6H10N4/c1-2-5-9-10-6(8)3-4-7/h2-3,5,9-10H,8H2,1H3/b5-2-,6-3+
InChIKeyLMXQUAKRSVNDCL-JGDUWUCISA-N
MW138.17 g/mol
LogP-0.06
Rot. Bonds3

About (E)-3-amino-3-[2-[(Z)-prop-1-enyl]hydrazinyl]prop-2-enenitrile

(E)-3-amino-3-[2-[(Z)-prop-1-enyl]hydrazinyl]prop-2-enenitrile (PubChem CID 163747255) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is (E)-3-amino-3-[2-[(Z)-prop-1-enyl]hydrazinyl]prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-amino-3-[2-[(Z)-prop-1-enyl]hydrazinyl]prop-2-enenitrile
PubChem CID163747255
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name(E)-3-amino-3-[2-[(Z)-prop-1-enyl]hydrazinyl]prop-2-enenitrile
SMILESC/C=C\NN/C(N)=C/C#N
InChIInChI=1S/C6H10N4/c1-2-5-9-10-6(8)3-4-7/h2-3,5,9-10H,8H2,1H3/b5-2-,6-3+
InChIKeyLMXQUAKRSVNDCL-JGDUWUCISA-N
XLogP-0.06
TPSA73.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-1-amino-2-cyanoethenyl]-2-methylpropanehydrazide
CID 15879887
3-methylbut-2-enenitrile
CID 178069797
2-amino-4-methylpent-2-enenitrile
CID 565432
(E)-3-amino-3-(pyridin-4-ylamino)prop-2-enenitrile
CID 163879883
1-(carbamothioylamino)-3-prop-1-enylthiourea
CID 87967428
sodium;3,3-bis(sulfanyl)prop-2-enenitrile;hydride
CID 174791181
(E)-(413C)but-2-enenitrile
CID 10986149
[(E)-prop-1-enyl]hydrazine
CID 19898087
N'-[[(Z)-prop-1-enyl]amino]carbamimidoyl chloride
CID 175613156
2,3-dicyanoprop-2-enamide
CID 173308718
3,3-dichloroprop-2-enenitrile
CID 11535554
1-iodoprop-1-en-1-amine
CID 141312363

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-3-[2-[(Z)-prop-1-enyl]hydrazinyl]prop-2-enenitrile?
The IUPAC name of (E)-3-amino-3-[2-[(Z)-prop-1-enyl]hydrazinyl]prop-2-enenitrile (CID 163747255) is (E)-3-amino-3-[2-[(Z)-prop-1-enyl]hydrazinyl]prop-2-enenitrile.
What is the SMILES notation for (E)-3-amino-3-[2-[(Z)-prop-1-enyl]hydrazinyl]prop-2-enenitrile?
The canonical SMILES for (E)-3-amino-3-[2-[(Z)-prop-1-enyl]hydrazinyl]prop-2-enenitrile is C/C=C\NN/C(N)=C/C#N.
What is the InChIKey of (E)-3-amino-3-[2-[(Z)-prop-1-enyl]hydrazinyl]prop-2-enenitrile?
The InChIKey is LMXQUAKRSVNDCL-JGDUWUCISA-N. The full InChI is InChI=1S/C6H10N4/c1-2-5-9-10-6(8)3-4-7/h2-3,5,9-10H,8H2,1H3/b5-2-,6-3+.
What are the key properties of (E)-3-amino-3-[2-[(Z)-prop-1-enyl]hydrazinyl]prop-2-enenitrile?
(E)-3-amino-3-[2-[(Z)-prop-1-enyl]hydrazinyl]prop-2-enenitrile has a molecular weight of 138.17 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-3-[2-[(Z)-prop-1-enyl]hydrazinyl]prop-2-enenitrile is sourced from PubChem (CID 163747255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).