(Z,2E)-2-(methylaminomethylidene)hex-3-enal

C8H13NO — CID 143279374

IUPAC(Z,2E)-2-(methylaminomethylidene)hex-3-enal
SMILESCC/C=C\C(C=O)=C/NC
InChIInChI=1S/C8H13NO/c1-3-4-5-8(7-10)6-9-2/h4-7,9H,3H2,1-2H3/b5-4-,8-6+
InChIKeyCYIPMUXWGDPOIC-GSGSLZOQSA-N
MW139.20 g/mol
LogP1.25
Rot. Bonds4

About (Z,2E)-2-(methylaminomethylidene)hex-3-enal

(Z,2E)-2-(methylaminomethylidene)hex-3-enal (PubChem CID 143279374) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (Z,2E)-2-(methylaminomethylidene)hex-3-enal.

Molecular Properties

Compound Name(Z,2E)-2-(methylaminomethylidene)hex-3-enal
PubChem CID143279374
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(Z,2E)-2-(methylaminomethylidene)hex-3-enal
SMILESCC/C=C\C(C=O)=C/NC
InChIInChI=1S/C8H13NO/c1-3-4-5-8(7-10)6-9-2/h4-7,9H,3H2,1-2H3/b5-4-,8-6+
InChIKeyCYIPMUXWGDPOIC-GSGSLZOQSA-N
XLogP1.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine
CID 138735527
(E)-3-(methylamino)-2-(methyliminomethyl)prop-2-enal
CID 145012913
(Z)-2-(ethylamino)-3-(methylamino)prop-2-enal
CID 89094997
3-(2-formylhexa-1,3-dienyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 91221155
(E)-N-hydroxypent-2-enamide
CID 87376694
(E)-pent-2-enoic acid
CID 638122
(2E,4Z)-2-ethenylhepta-2,4-dienal
CID 129060259
pent-2-enoic acid;hydrochloride
CID 156883966
(2E)-3-fluorohepta-2,4-diene
CID 143797404
(3E,5E)-4-ethenylocta-1,3,5-triene
CID 142003848
(3E,5E,6Z)-5-(2-fluoroethylidene)-2-methylnona-1,3,6-triene
CID 137451315
(Z)-2-(methylamino)pent-2-enal
CID 144647822

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-2-(methylaminomethylidene)hex-3-enal?
The IUPAC name of (Z,2E)-2-(methylaminomethylidene)hex-3-enal (CID 143279374) is (Z,2E)-2-(methylaminomethylidene)hex-3-enal.
What is the SMILES notation for (Z,2E)-2-(methylaminomethylidene)hex-3-enal?
The canonical SMILES for (Z,2E)-2-(methylaminomethylidene)hex-3-enal is CC/C=C\C(C=O)=C/NC.
What is the InChIKey of (Z,2E)-2-(methylaminomethylidene)hex-3-enal?
The InChIKey is CYIPMUXWGDPOIC-GSGSLZOQSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-4-5-8(7-10)6-9-2/h4-7,9H,3H2,1-2H3/b5-4-,8-6+.
What are the key properties of (Z,2E)-2-(methylaminomethylidene)hex-3-enal?
(Z,2E)-2-(methylaminomethylidene)hex-3-enal has a molecular weight of 139.20 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-(methylaminomethylidene)hex-3-enal is sourced from PubChem (CID 143279374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).