(2E,4Z)-6-hydroxy-2-(N-methylanilino)hepta-2,4-dienenitrile

C14H16N2O — CID 177425455

IUPAC(2E,4Z)-6-hydroxy-2-(N-methylanilino)hepta-2,4-dienenitrile
SMILESCC(O)/C=C\C=C(/C#N)N(C)c1ccccc1
InChIInChI=1S/C14H16N2O/c1-12(17)7-6-10-14(11-15)16(2)13-8-4-3-5-9-13/h3-10,12,17H,1-2H3/b7-6-,14-10+
InChIKeyFIWHWRSMBULUGR-KOORZVIOSA-N
MW228.29 g/mol
LogP2.47
Rot. Bonds4

About (2E,4Z)-6-hydroxy-2-(N-methylanilino)hepta-2,4-dienenitrile

(2E,4Z)-6-hydroxy-2-(N-methylanilino)hepta-2,4-dienenitrile (PubChem CID 177425455) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is (2E,4Z)-6-hydroxy-2-(N-methylanilino)hepta-2,4-dienenitrile.

Molecular Properties

Compound Name(2E,4Z)-6-hydroxy-2-(N-methylanilino)hepta-2,4-dienenitrile
PubChem CID177425455
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name(2E,4Z)-6-hydroxy-2-(N-methylanilino)hepta-2,4-dienenitrile
SMILESCC(O)/C=C\C=C(/C#N)N(C)c1ccccc1
InChIInChI=1S/C14H16N2O/c1-12(17)7-6-10-14(11-15)16(2)13-8-4-3-5-9-13/h3-10,12,17H,1-2H3/b7-6-,14-10+
InChIKeyFIWHWRSMBULUGR-KOORZVIOSA-N
XLogP2.47
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2E,4E)-2-(N-methylanilino)-6-phenylsulfanylhepta-2,4-dienenitrile
CID 10041702
(E)-2-(N-methylanilino)but-2-enenitrile
CID 14812335
(E)-2-(N-methylanilino)-3-phenylprop-2-enenitrile
CID 13147143
2-(dimethylamino)-4-phenylpent-2-enenitrile
CID 131855342
(Z)-7-iodo-2-(N-methylanilino)-4-[(E)-2-phenylmethoxyethenyl]hept-2-enenitrile
CID 10050481
(Z,4S,5S)-5-hydroxy-2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-4,5-diphenylpent-2-enenitrile
CID 10251124
N-methyl-N-[(Z)-4-methylpent-2-en-3-yl]aniline
CID 135253845
(E,2E)-2-benzylidene-3-hydroxyhex-4-enenitrile
CID 101045564
N-methyl-N-phenylbuta-2,3-dienamide
CID 12773177
(Z,4R)-4-hydroxy-N,N-diphenylpent-2-enamide
CID 59426482
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
1,3-dimethyl-1,3-diphenylselenourea
CID 12787621

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-6-hydroxy-2-(N-methylanilino)hepta-2,4-dienenitrile?
The IUPAC name of (2E,4Z)-6-hydroxy-2-(N-methylanilino)hepta-2,4-dienenitrile (CID 177425455) is (2E,4Z)-6-hydroxy-2-(N-methylanilino)hepta-2,4-dienenitrile.
What is the SMILES notation for (2E,4Z)-6-hydroxy-2-(N-methylanilino)hepta-2,4-dienenitrile?
The canonical SMILES for (2E,4Z)-6-hydroxy-2-(N-methylanilino)hepta-2,4-dienenitrile is CC(O)/C=C\C=C(/C#N)N(C)c1ccccc1.
What is the InChIKey of (2E,4Z)-6-hydroxy-2-(N-methylanilino)hepta-2,4-dienenitrile?
The InChIKey is FIWHWRSMBULUGR-KOORZVIOSA-N. The full InChI is InChI=1S/C14H16N2O/c1-12(17)7-6-10-14(11-15)16(2)13-8-4-3-5-9-13/h3-10,12,17H,1-2H3/b7-6-,14-10+.
What are the key properties of (2E,4Z)-6-hydroxy-2-(N-methylanilino)hepta-2,4-dienenitrile?
(2E,4Z)-6-hydroxy-2-(N-methylanilino)hepta-2,4-dienenitrile has a molecular weight of 228.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-hydroxy-2-(N-methylanilino)hepta-2,4-dienenitrile is sourced from PubChem (CID 177425455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).