(3Z,5E)-6-methoxy-6-(methylideneamino)hexa-3,5-dienal

C8H11NO2 — CID 143680466

IUPAC(3Z,5E)-6-methoxy-6-(methylideneamino)hexa-3,5-dienal
SMILESC=N/C(=C\C=C/CC=O)OC
InChIInChI=1S/C8H11NO2/c1-9-8(11-2)6-4-3-5-7-10/h3-4,6-7H,1,5H2,2H3/b4-3-,8-6+
InChIKeyJCMDRTRUSNODNP-OONGGIDMSA-N
MW153.18 g/mol
LogP1.32
Rot. Bonds5

About (3Z,5E)-6-methoxy-6-(methylideneamino)hexa-3,5-dienal

(3Z,5E)-6-methoxy-6-(methylideneamino)hexa-3,5-dienal (PubChem CID 143680466) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (3Z,5E)-6-methoxy-6-(methylideneamino)hexa-3,5-dienal.

Molecular Properties

Compound Name(3Z,5E)-6-methoxy-6-(methylideneamino)hexa-3,5-dienal
PubChem CID143680466
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(3Z,5E)-6-methoxy-6-(methylideneamino)hexa-3,5-dienal
SMILESC=N/C(=C\C=C/CC=O)OC
InChIInChI=1S/C8H11NO2/c1-9-8(11-2)6-4-3-5-7-10/h3-4,6-7H,1,5H2,2H3/b4-3-,8-6+
InChIKeyJCMDRTRUSNODNP-OONGGIDMSA-N
XLogP1.32
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-[(Z)-1-methoxyprop-1-enyl]methanimine
CID 144898882
(E)-pent-2-enedial;urea
CID 118364474
N-(1-methoxyhexa-2,4-dien-2-yl)methanimine
CID 123372368
3-(methoxymethylimino)propanal
CID 91591943
(3E,5E)-6-bromohexa-3,5-dienal
CID 19781138
methyl (E)-12-oxododec-9-enoate
CID 5364512
5-methoxy-5-methylhex-3-enal
CID 91609097
(Z)-hex-3-enal
CID 162039404
(5E,7E,11R)-11-methoxy-8-methyltetradeca-5,7,13-trienal
CID 102001360
(E)-3-methoxy-N-methyl-N'-methylidene-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]prop-2-ene-1,3-diimine
CID 137286928
[(E)-1,2-bis(methylideneamino)ethenyl] acetate
CID 143985283
methyl (4Z,6E)-7-chloroocta-4,6-dienoate
CID 131856006

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-6-methoxy-6-(methylideneamino)hexa-3,5-dienal?
The IUPAC name of (3Z,5E)-6-methoxy-6-(methylideneamino)hexa-3,5-dienal (CID 143680466) is (3Z,5E)-6-methoxy-6-(methylideneamino)hexa-3,5-dienal.
What is the SMILES notation for (3Z,5E)-6-methoxy-6-(methylideneamino)hexa-3,5-dienal?
The canonical SMILES for (3Z,5E)-6-methoxy-6-(methylideneamino)hexa-3,5-dienal is C=N/C(=C\C=C/CC=O)OC.
What is the InChIKey of (3Z,5E)-6-methoxy-6-(methylideneamino)hexa-3,5-dienal?
The InChIKey is JCMDRTRUSNODNP-OONGGIDMSA-N. The full InChI is InChI=1S/C8H11NO2/c1-9-8(11-2)6-4-3-5-7-10/h3-4,6-7H,1,5H2,2H3/b4-3-,8-6+.
What are the key properties of (3Z,5E)-6-methoxy-6-(methylideneamino)hexa-3,5-dienal?
(3Z,5E)-6-methoxy-6-(methylideneamino)hexa-3,5-dienal has a molecular weight of 153.18 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-6-methoxy-6-(methylideneamino)hexa-3,5-dienal is sourced from PubChem (CID 143680466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).