ethane;2-methylidene-3-prop-1-en-2-yliminobutanenitrile

C10H16N2 — CID 143883301

IUPACethane;2-methylidene-3-prop-1-en-2-yliminobutanenitrile
SMILESC=C(C)/N=C(\C)C(=C)C#N.CC
InChIInChI=1S/C8H10N2.C2H6/c1-6(2)10-8(4)7(3)5-9;1-2/h1,3H2,2,4H3;1-2H3/b10-8+;
InChIKeyFEOLENYNBKZSLQ-VRTOBVRTSA-N
MW164.25 g/mol
LogP3.09
Rot. Bonds2

About ethane;2-methylidene-3-prop-1-en-2-yliminobutanenitrile

ethane;2-methylidene-3-prop-1-en-2-yliminobutanenitrile (PubChem CID 143883301) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is ethane;2-methylidene-3-prop-1-en-2-yliminobutanenitrile.

Molecular Properties

Compound Nameethane;2-methylidene-3-prop-1-en-2-yliminobutanenitrile
PubChem CID143883301
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Nameethane;2-methylidene-3-prop-1-en-2-yliminobutanenitrile
SMILESC=C(C)/N=C(\C)C(=C)C#N.CC
InChIInChI=1S/C8H10N2.C2H6/c1-6(2)10-8(4)7(3)5-9;1-2/h1,3H2,2,4H3;1-2H3/b10-8+;
InChIKeyFEOLENYNBKZSLQ-VRTOBVRTSA-N
XLogP3.09
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-prop-1-en-2-ylprop-2-enimidoyl cyanide
CID 143976470
3,4-dimethyl-N-prop-1-en-2-ylpent-3-en-2-imine
CID 144835890
(Z)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine
CID 142024841
ethane;(E)-2-methyl-4-methylidenepent-2-enedinitrile
CID 176714944
formonitrile;2-methylprop-2-enenitrile
CID 174326031
(E)-2,3-dimethylbut-2-enedinitrile;ethane
CID 145022966
(Z)-2,3-bis(prop-1-en-2-yl)but-2-enedinitrile
CID 145301363
2-(ethylideneamino)prop-2-enenitrile
CID 145493819
dichlororuthenium;tetrakis(2-methylprop-2-enenitrile)
CID 22748588
2-cyanoprop-2-enoic acid;N-methylmethanamine
CID 21218802
ethane;tris(2-methylprop-1-ene)
CID 144520420
ethane;N'-prop-1-en-2-ylmethanimidamide
CID 164916577

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylidene-3-prop-1-en-2-yliminobutanenitrile?
The IUPAC name of ethane;2-methylidene-3-prop-1-en-2-yliminobutanenitrile (CID 143883301) is ethane;2-methylidene-3-prop-1-en-2-yliminobutanenitrile.
What is the SMILES notation for ethane;2-methylidene-3-prop-1-en-2-yliminobutanenitrile?
The canonical SMILES for ethane;2-methylidene-3-prop-1-en-2-yliminobutanenitrile is C=C(C)/N=C(\C)C(=C)C#N.CC.
What is the InChIKey of ethane;2-methylidene-3-prop-1-en-2-yliminobutanenitrile?
The InChIKey is FEOLENYNBKZSLQ-VRTOBVRTSA-N. The full InChI is InChI=1S/C8H10N2.C2H6/c1-6(2)10-8(4)7(3)5-9;1-2/h1,3H2,2,4H3;1-2H3/b10-8+;.
What are the key properties of ethane;2-methylidene-3-prop-1-en-2-yliminobutanenitrile?
ethane;2-methylidene-3-prop-1-en-2-yliminobutanenitrile has a molecular weight of 164.25 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylidene-3-prop-1-en-2-yliminobutanenitrile is sourced from PubChem (CID 143883301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).