(Z)-2,3-bis(prop-1-en-2-yl)but-2-enedinitrile

C10H10N2 — CID 145301363

IUPAC(Z)-2,3-bis(prop-1-en-2-yl)but-2-enedinitrile
SMILESC=C(C)/C(C#N)=C(/C#N)C(=C)C
InChIInChI=1S/C10H10N2/c1-7(2)9(5-11)10(6-12)8(3)4/h1,3H2,2,4H3/b10-9-
InChIKeyUVKXOZSPWBFMJE-KTKRTIGZSA-N
MW158.20 g/mol
LogP2.48
Rot. Bonds2

About (Z)-2,3-bis(prop-1-en-2-yl)but-2-enedinitrile

(Z)-2,3-bis(prop-1-en-2-yl)but-2-enedinitrile (PubChem CID 145301363) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (Z)-2,3-bis(prop-1-en-2-yl)but-2-enedinitrile.

Molecular Properties

Compound Name(Z)-2,3-bis(prop-1-en-2-yl)but-2-enedinitrile
PubChem CID145301363
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name(Z)-2,3-bis(prop-1-en-2-yl)but-2-enedinitrile
SMILESC=C(C)/C(C#N)=C(/C#N)C(=C)C
InChIInChI=1S/C10H10N2/c1-7(2)9(5-11)10(6-12)8(3)4/h1,3H2,2,4H3/b10-9-
InChIKeyUVKXOZSPWBFMJE-KTKRTIGZSA-N
XLogP2.48
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.48
H-Bond Donors ≤ 50
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-[chloro(methylsulfanyl)methylidene]-3-methylbut-3-enenitrile
CID 123431574
(2Z)-2-[chloro(methylsulfanyl)methylidene]-3-methylbut-3-enenitrile
CID 144648833
formonitrile;2-methylprop-2-enenitrile
CID 174326031
iodo (2E)-3-cyano-4-methyl-2-propylpenta-2,4-dienoate
CID 161344378
dichlororuthenium;tetrakis(2-methylprop-2-enenitrile)
CID 22748588
isocyanic acid;2-methylprop-2-enenitrile
CID 172858040
(Z)-3-trimethylsilyloxy-2-(1-trimethylsilyloxyethenyl)but-2-enenitrile
CID 101333897
(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienenitrile
CID 89181055
2-methylprop-2-enamide;hydrate
CID 88749193
O-methyl 2-cyano-5-methyl-3-(2-methylprop-2-enyl)hexa-2,5-dienethioate
CID 88631988
buta-1,3-diene;2-methylbuta-1,3-diene;2-methylprop-2-enenitrile
CID 174444514
2,3-dicyanobut-2-enoic acid
CID 172783175

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-bis(prop-1-en-2-yl)but-2-enedinitrile?
The IUPAC name of (Z)-2,3-bis(prop-1-en-2-yl)but-2-enedinitrile (CID 145301363) is (Z)-2,3-bis(prop-1-en-2-yl)but-2-enedinitrile.
What is the SMILES notation for (Z)-2,3-bis(prop-1-en-2-yl)but-2-enedinitrile?
The canonical SMILES for (Z)-2,3-bis(prop-1-en-2-yl)but-2-enedinitrile is C=C(C)/C(C#N)=C(/C#N)C(=C)C.
What is the InChIKey of (Z)-2,3-bis(prop-1-en-2-yl)but-2-enedinitrile?
The InChIKey is UVKXOZSPWBFMJE-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H10N2/c1-7(2)9(5-11)10(6-12)8(3)4/h1,3H2,2,4H3/b10-9-.
What are the key properties of (Z)-2,3-bis(prop-1-en-2-yl)but-2-enedinitrile?
(Z)-2,3-bis(prop-1-en-2-yl)but-2-enedinitrile has a molecular weight of 158.20 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-bis(prop-1-en-2-yl)but-2-enedinitrile is sourced from PubChem (CID 145301363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).