(E,2E)-2-ethylidene-4-(methylamino)pent-3-enenitrile

C8H12N2 — CID 146318029

IUPAC(E,2E)-2-ethylidene-4-(methylamino)pent-3-enenitrile
SMILESC/C=C(C#N)\C=C(/C)NC
InChIInChI=1S/C8H12N2/c1-4-8(6-9)5-7(2)10-3/h4-5,10H,1-3H3/b7-5+,8-4+
InChIKeyFXHMSMABJADGJZ-JBVHCYJISA-N
MW136.20 g/mol
LogP1.58
Rot. Bonds2

About (E,2E)-2-ethylidene-4-(methylamino)pent-3-enenitrile

(E,2E)-2-ethylidene-4-(methylamino)pent-3-enenitrile (PubChem CID 146318029) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (E,2E)-2-ethylidene-4-(methylamino)pent-3-enenitrile.

Molecular Properties

Compound Name(E,2E)-2-ethylidene-4-(methylamino)pent-3-enenitrile
PubChem CID146318029
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(E,2E)-2-ethylidene-4-(methylamino)pent-3-enenitrile
SMILESC/C=C(C#N)\C=C(/C)NC
InChIInChI=1S/C8H12N2/c1-4-8(6-9)5-7(2)10-3/h4-5,10H,1-3H3/b7-5+,8-4+
InChIKeyFXHMSMABJADGJZ-JBVHCYJISA-N
XLogP1.58
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.58
H-Bond Donors ≤ 51
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

(Z,2E)-4-ethyl-2-ethylidene-5-(methylamino)hept-3-enenitrile
CID 167149958
(E,2E)-4,5-diamino-2-ethylidenepent-3-enenitrile
CID 163722687
[(3Z,5E)-5-cyanohepta-1,3,5-trien-3-yl]boronic acid
CID 143378126
(2E,3Z)-2-ethylidene-5-[ethyl(methyl)amino]-4-methylhexa-3,5-dienenitrile
CID 170720884
tert-butyl N-[(2E,4E)-4-cyano-2-methylhexa-2,4-dienyl]carbamate
CID 170299111
2-ethenyl-4-methylpenta-2,4-dienenitrile
CID 123944173
(Z,2E)-2-ethylidene-5-methylidene-6-oxohept-3-enenitrile
CID 138502287
(2Z,4E)-N-methylhexa-2,4-dien-2-amine
CID 142249043
(2Z,4Z)-N-methylhexa-2,4-dien-2-amine
CID 89105834
ethane;(E)-2-methylbut-2-enenitrile
CID 143019003
(4Z,10Z)-N,4,5,6,7,8,10-heptamethyldodeca-2,4,6,8,10-pentaen-2-amine
CID 159741743
(2E,3E,5Z)-2-ethylidene-4-(4-methylpiperazin-1-yl)hepta-3,5-dienenitrile
CID 142101610

Frequently Asked Questions

What is the IUPAC name of (E,2E)-2-ethylidene-4-(methylamino)pent-3-enenitrile?
The IUPAC name of (E,2E)-2-ethylidene-4-(methylamino)pent-3-enenitrile (CID 146318029) is (E,2E)-2-ethylidene-4-(methylamino)pent-3-enenitrile.
What is the SMILES notation for (E,2E)-2-ethylidene-4-(methylamino)pent-3-enenitrile?
The canonical SMILES for (E,2E)-2-ethylidene-4-(methylamino)pent-3-enenitrile is C/C=C(C#N)\C=C(/C)NC.
What is the InChIKey of (E,2E)-2-ethylidene-4-(methylamino)pent-3-enenitrile?
The InChIKey is FXHMSMABJADGJZ-JBVHCYJISA-N. The full InChI is InChI=1S/C8H12N2/c1-4-8(6-9)5-7(2)10-3/h4-5,10H,1-3H3/b7-5+,8-4+.
What are the key properties of (E,2E)-2-ethylidene-4-(methylamino)pent-3-enenitrile?
(E,2E)-2-ethylidene-4-(methylamino)pent-3-enenitrile has a molecular weight of 136.20 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E)-2-ethylidene-4-(methylamino)pent-3-enenitrile is sourced from PubChem (CID 146318029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).