(3Z)-4-(ethylideneamino)buta-1,3-dien-2-ol

C6H9NO — CID 143328048

IUPAC(3Z)-4-(ethylideneamino)buta-1,3-dien-2-ol
SMILESC=C(O)/C=C\N=C\C
InChIInChI=1S/C6H9NO/c1-3-7-5-4-6(2)8/h3-5,8H,2H2,1H3/b5-4-,7-3+
InChIKeyRJDVPUUZJKHDIQ-SBYNAHCQSA-N
MW111.14 g/mol
LogP1.66
Rot. Bonds2

About (3Z)-4-(ethylideneamino)buta-1,3-dien-2-ol

(3Z)-4-(ethylideneamino)buta-1,3-dien-2-ol (PubChem CID 143328048) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (3Z)-4-(ethylideneamino)buta-1,3-dien-2-ol.

Molecular Properties

Compound Name(3Z)-4-(ethylideneamino)buta-1,3-dien-2-ol
PubChem CID143328048
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(3Z)-4-(ethylideneamino)buta-1,3-dien-2-ol
SMILESC=C(O)/C=C\N=C\C
InChIInChI=1S/C6H9NO/c1-3-7-5-4-6(2)8/h3-5,8H,2H2,1H3/b5-4-,7-3+
InChIKeyRJDVPUUZJKHDIQ-SBYNAHCQSA-N
XLogP1.66
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorobuta-1,3-dienyl)ethanimine
CID 123742417
4-(ethylideneamino)-N,N-dimethylbuta-1,3-dien-2-amine
CID 123366460
(3Z)-4-(ethylideneamino)-N-propan-2-ylbuta-1,3-dien-2-amine
CID 143487310
ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]ethanimine
CID 142064369
[(3Z)-4-(ethylideneamino)buta-1,3-dien-2-yl] propanoate
CID 167131411
N-[(Z)-prop-1-enyl]ethanimine
CID 59954783
N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]ethanimine
CID 88906035
(Z,2S)-6-(ethylideneamino)-2-(methoxycarbonylamino)-4-methylidenehex-5-enoic acid
CID 90261722
N-ethylidene-N'-prop-1-en-2-ylmethanimidamide
CID 130351047
ethane;N-[(Z)-2-(methylideneamino)ethenyl]ethanimine
CID 142047011
(Z)-4-N-ethylidene-2-N-[(Z)-4-methylpent-2-en-3-yl]but-3-ene-2,4-diimine
CID 156793413
(3Z,5Z,7Z,8Z)-5,7-di(ethylidene)undeca-1,3,8,10-tetraene-2,10-diol
CID 166754770

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-(ethylideneamino)buta-1,3-dien-2-ol?
The IUPAC name of (3Z)-4-(ethylideneamino)buta-1,3-dien-2-ol (CID 143328048) is (3Z)-4-(ethylideneamino)buta-1,3-dien-2-ol.
What is the SMILES notation for (3Z)-4-(ethylideneamino)buta-1,3-dien-2-ol?
The canonical SMILES for (3Z)-4-(ethylideneamino)buta-1,3-dien-2-ol is C=C(O)/C=C\N=C\C.
What is the InChIKey of (3Z)-4-(ethylideneamino)buta-1,3-dien-2-ol?
The InChIKey is RJDVPUUZJKHDIQ-SBYNAHCQSA-N. The full InChI is InChI=1S/C6H9NO/c1-3-7-5-4-6(2)8/h3-5,8H,2H2,1H3/b5-4-,7-3+.
What are the key properties of (3Z)-4-(ethylideneamino)buta-1,3-dien-2-ol?
(3Z)-4-(ethylideneamino)buta-1,3-dien-2-ol has a molecular weight of 111.14 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-(ethylideneamino)buta-1,3-dien-2-ol is sourced from PubChem (CID 143328048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).