acetaldehyde;N-[(2Z,4E)-hexa-2,4-dien-3-yl]methanimine

C9H15NO — CID 142835629

IUPACacetaldehyde;N-[(2Z,4E)-hexa-2,4-dien-3-yl]methanimine
SMILESC=NC(=C\C)/C=C/C.CC=O
InChIInChI=1S/C7H11N.C2H4O/c1-4-6-7(5-2)8-3;1-2-3/h4-6H,3H2,1-2H3;2H,1H3/b6-4+,7-5-;
InChIKeyQXMQRZFXTUJAIV-XGGDKXJTSA-N
MW153.22 g/mol
LogP2.37
Rot. Bonds2

About acetaldehyde;N-[(2Z,4E)-hexa-2,4-dien-3-yl]methanimine

acetaldehyde;N-[(2Z,4E)-hexa-2,4-dien-3-yl]methanimine (PubChem CID 142835629) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is acetaldehyde;N-[(2Z,4E)-hexa-2,4-dien-3-yl]methanimine.

Molecular Properties

Compound Nameacetaldehyde;N-[(2Z,4E)-hexa-2,4-dien-3-yl]methanimine
PubChem CID142835629
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Nameacetaldehyde;N-[(2Z,4E)-hexa-2,4-dien-3-yl]methanimine
SMILESC=NC(=C\C)/C=C/C.CC=O
InChIInChI=1S/C7H11N.C2H4O/c1-4-6-7(5-2)8-3;1-2-3/h4-6H,3H2,1-2H3;2H,1H3/b6-4+,7-5-;
InChIKeyQXMQRZFXTUJAIV-XGGDKXJTSA-N
XLogP2.37
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine
CID 142024133
(1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 142933164
N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine
CID 139436221
acetaldehyde;methanol
CID 19366238
acetaldehyde;formaldehyde
CID 162213164
acetaldehyde
CID 158130567
N-[(Z)-pent-3-en-2-ylidene]formamide
CID 146239104
acetaldehyde;formaldehyde;formic acid
CID 159516421
hepta-2,5-dien-4-one
CID 54179619
acetaldehyde;nitrous acid
CID 174522252
2-fluoro-5-nitrosohepta-1,3,5-triene
CID 123549824
(Z)-N-ethenyl-2,2-dimethylhex-4-en-3-imine
CID 129035901

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N-[(2Z,4E)-hexa-2,4-dien-3-yl]methanimine?
The IUPAC name of acetaldehyde;N-[(2Z,4E)-hexa-2,4-dien-3-yl]methanimine (CID 142835629) is acetaldehyde;N-[(2Z,4E)-hexa-2,4-dien-3-yl]methanimine.
What is the SMILES notation for acetaldehyde;N-[(2Z,4E)-hexa-2,4-dien-3-yl]methanimine?
The canonical SMILES for acetaldehyde;N-[(2Z,4E)-hexa-2,4-dien-3-yl]methanimine is C=NC(=C\C)/C=C/C.CC=O.
What is the InChIKey of acetaldehyde;N-[(2Z,4E)-hexa-2,4-dien-3-yl]methanimine?
The InChIKey is QXMQRZFXTUJAIV-XGGDKXJTSA-N. The full InChI is InChI=1S/C7H11N.C2H4O/c1-4-6-7(5-2)8-3;1-2-3/h4-6H,3H2,1-2H3;2H,1H3/b6-4+,7-5-;.
What are the key properties of acetaldehyde;N-[(2Z,4E)-hexa-2,4-dien-3-yl]methanimine?
acetaldehyde;N-[(2Z,4E)-hexa-2,4-dien-3-yl]methanimine has a molecular weight of 153.22 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;N-[(2Z,4E)-hexa-2,4-dien-3-yl]methanimine is sourced from PubChem (CID 142835629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).