4-(but-2-enylideneamino)-2-ethylbut-2-enenitrile

C10H14N2 — CID 123437410

IUPAC4-(but-2-enylideneamino)-2-ethylbut-2-enenitrile
SMILESCC=C/C=N/CC=C(C#N)CC
InChIInChI=1S/C10H14N2/c1-3-5-7-12-8-6-10(4-2)9-11/h3,5-7H,4,8H2,1-2H3/b5-3?,10-6?,12-7+
InChIKeyKTUKLRHNJLLGNO-ZXGRFWOLSA-N
MW162.24 g/mol
LogP2.49
Rot. Bonds4

About 4-(but-2-enylideneamino)-2-ethylbut-2-enenitrile

4-(but-2-enylideneamino)-2-ethylbut-2-enenitrile (PubChem CID 123437410) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 4-(but-2-enylideneamino)-2-ethylbut-2-enenitrile.

Molecular Properties

Compound Name4-(but-2-enylideneamino)-2-ethylbut-2-enenitrile
PubChem CID123437410
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name4-(but-2-enylideneamino)-2-ethylbut-2-enenitrile
SMILESCC=C/C=N/CC=C(C#N)CC
InChIInChI=1S/C10H14N2/c1-3-5-7-12-8-6-10(4-2)9-11/h3,5-7H,4,8H2,1-2H3/b5-3?,10-6?,12-7+
InChIKeyKTUKLRHNJLLGNO-ZXGRFWOLSA-N
XLogP2.49
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 ≤ 52.49
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

Pyridin-3-ylidene malononitrile
CID 129787803
4-Methyl-2-(3-methylbut-2-enylideneamino)pent-3-enenitrile
CID 589549
2-(3,7-Dimethyl-octa-2,4,6-trienylideneamino)-succinonitrile
CID 5374302
(Z,2E)-2-(2-methyliminoethylidene)pent-3-enenitrile
CID 89984254
3-Ethenyl-5-methyliminopent-3-enenitrile
CID 123175711
(E)-2-(methyliminomethyl)pent-2-enenitrile
CID 123220848
(2E)-2-[(2E)-2-butan-2-ylidene-3-pyridinylidene]butanenitrile;ethane
CID 143041688
2-Cyclohexa-2,5-dien-1-ylidene-3-methyliminopropanenitrile
CID 143128859
2-[[(Z)-2-ethylpent-2-enyl]iminomethyl]prop-2-enenitrile
CID 155402727
(E)-2-ethyl-4-methyliminobut-2-enenitrile
CID 163224262
(Z,2E)-2-[(ethylideneamino)methylidene]-3-methylpent-3-enenitrile
CID 163758840
(Z)-2,4-dimethylidene-7-methyliminohept-5-enenitrile
CID 167264214

Frequently Asked Questions

What is the IUPAC name of 4-(but-2-enylideneamino)-2-ethylbut-2-enenitrile?
The IUPAC name of 4-(but-2-enylideneamino)-2-ethylbut-2-enenitrile (CID 123437410) is 4-(but-2-enylideneamino)-2-ethylbut-2-enenitrile.
What is the SMILES notation for 4-(but-2-enylideneamino)-2-ethylbut-2-enenitrile?
The canonical SMILES for 4-(but-2-enylideneamino)-2-ethylbut-2-enenitrile is CC=C/C=N/CC=C(C#N)CC.
What is the InChIKey of 4-(but-2-enylideneamino)-2-ethylbut-2-enenitrile?
The InChIKey is KTUKLRHNJLLGNO-ZXGRFWOLSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-5-7-12-8-6-10(4-2)9-11/h3,5-7H,4,8H2,1-2H3/b5-3?,10-6?,12-7+.
What are the key properties of 4-(but-2-enylideneamino)-2-ethylbut-2-enenitrile?
4-(but-2-enylideneamino)-2-ethylbut-2-enenitrile has a molecular weight of 162.24 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(but-2-enylideneamino)-2-ethylbut-2-enenitrile is sourced from PubChem (CID 123437410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).