(Z)-2-methylidene-4-(pentan-2-ylideneamino)but-3-enenitrile

C10H14N2 — CID 168972725

IUPAC(Z)-2-methylidene-4-(pentan-2-ylideneamino)but-3-enenitrile
SMILESC=C(C#N)/C=C\N=C(/C)CCC
InChIInChI=1S/C10H14N2/c1-4-5-10(3)12-7-6-9(2)8-11/h6-7H,2,4-5H2,1,3H3/b7-6-,12-10+
InChIKeyWPHWWYBQGWDUFR-WTVYDBEASA-N
MW162.24 g/mol
LogP2.84
Rot. Bonds4

About (Z)-2-methylidene-4-(pentan-2-ylideneamino)but-3-enenitrile

(Z)-2-methylidene-4-(pentan-2-ylideneamino)but-3-enenitrile (PubChem CID 168972725) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (Z)-2-methylidene-4-(pentan-2-ylideneamino)but-3-enenitrile.

Molecular Properties

Compound Name(Z)-2-methylidene-4-(pentan-2-ylideneamino)but-3-enenitrile
PubChem CID168972725
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(Z)-2-methylidene-4-(pentan-2-ylideneamino)but-3-enenitrile
SMILESC=C(C#N)/C=C\N=C(/C)CCC
InChIInChI=1S/C10H14N2/c1-4-5-10(3)12-7-6-9(2)8-11/h6-7H,2,4-5H2,1,3H3/b7-6-,12-10+
InChIKeyWPHWWYBQGWDUFR-WTVYDBEASA-N
XLogP2.84
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.84
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-methylidene-6-(pentan-2-ylideneamino)hex-5-en-3-one
CID 168972308
N-[(1Z,4E)-3-methylidene-4-prop-1-en-2-ylhexa-1,4-dienyl]pentan-2-imine
CID 135210367
ethane;(E)-2-methyl-4-methylidenepent-2-enedinitrile
CID 176714944
ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene
CID 143257359
methane;(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine
CID 172950111
heptan-4-imine;2-methylprop-1-ene
CID 175527412
ethane;(2E)-2-(phosphanylmethylidene)pentanenitrile
CID 144712712
5-fluoro-2-methylidenehexa-3,5-dienenitrile
CID 123637801
(3Z,7Z)-8,9-dimethyl-2,5,6-trimethylidenedeca-3,7,9-trienenitrile
CID 144813060
5-ethyl-2-methylidene-6-propyldec-3-enenitrile
CID 123299633
2-methyl-6-methylidenenona-1,4-diene
CID 90971129
ethane;N-[(1Z,4Z)-2-methylhexa-1,4-dienyl]pentan-2-imine
CID 153342646

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methylidene-4-(pentan-2-ylideneamino)but-3-enenitrile?
The IUPAC name of (Z)-2-methylidene-4-(pentan-2-ylideneamino)but-3-enenitrile (CID 168972725) is (Z)-2-methylidene-4-(pentan-2-ylideneamino)but-3-enenitrile.
What is the SMILES notation for (Z)-2-methylidene-4-(pentan-2-ylideneamino)but-3-enenitrile?
The canonical SMILES for (Z)-2-methylidene-4-(pentan-2-ylideneamino)but-3-enenitrile is C=C(C#N)/C=C\N=C(/C)CCC.
What is the InChIKey of (Z)-2-methylidene-4-(pentan-2-ylideneamino)but-3-enenitrile?
The InChIKey is WPHWWYBQGWDUFR-WTVYDBEASA-N. The full InChI is InChI=1S/C10H14N2/c1-4-5-10(3)12-7-6-9(2)8-11/h6-7H,2,4-5H2,1,3H3/b7-6-,12-10+.
What are the key properties of (Z)-2-methylidene-4-(pentan-2-ylideneamino)but-3-enenitrile?
(Z)-2-methylidene-4-(pentan-2-ylideneamino)but-3-enenitrile has a molecular weight of 162.24 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methylidene-4-(pentan-2-ylideneamino)but-3-enenitrile is sourced from PubChem (CID 168972725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).