(3Z)-5-imino-4-methylpenta-1,3-dien-2-ol

C6H9NO — CID 144576007

IUPAC(3Z)-5-imino-4-methylpenta-1,3-dien-2-ol
SMILES[H]/N=C/C(C)=C\C(=C)O
InChIInChI=1S/C6H9NO/c1-5(4-7)3-6(2)8/h3-4,7-8H,2H2,1H3/b5-3-,7-4+
InChIKeyANYSMFDVPREBQQ-XKSOLRDRSA-N
MW111.14 g/mol
LogP1.65
Rot. Bonds2

About (3Z)-5-imino-4-methylpenta-1,3-dien-2-ol

(3Z)-5-imino-4-methylpenta-1,3-dien-2-ol (PubChem CID 144576007) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (3Z)-5-imino-4-methylpenta-1,3-dien-2-ol.

Molecular Properties

Compound Name(3Z)-5-imino-4-methylpenta-1,3-dien-2-ol
PubChem CID144576007
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(3Z)-5-imino-4-methylpenta-1,3-dien-2-ol
SMILES[H]/N=C/C(C)=C\C(=C)O
InChIInChI=1S/C6H9NO/c1-5(4-7)3-6(2)8/h3-4,7-8H,2H2,1H3/b5-3-,7-4+
InChIKeyANYSMFDVPREBQQ-XKSOLRDRSA-N
XLogP1.65
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.65
H-Bond Donors ≤ 52
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

(2Z,4Z)-6-iminohexa-2,4-dien-3-ol
CID 117810687
(3Z)-3-methanimidoyl-5-methylidenehepta-1,3-dien-2-ol
CID 142016028
ethane;(3Z,5E)-5-methanimidoylhepta-1,3,5-trien-2-ol
CID 143193809
(2E,4Z)-4-methanimidoyl-6-methylhepta-2,4,6-trien-3-ol
CID 143341071
(3Z)-5-methanimidoylhexa-1,3,5-trien-2-ol
CID 143933256
(3Z)-3-methanimidoylhexa-1,3,5-trien-2-ol
CID 145386438
(3Z)-3-methanimidoylhexa-1,3,5-triene-2,5-diol
CID 143182820
(3Z,5E)-5-methanimidoylhepta-1,3,5-trien-2-ol
CID 143193810

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-imino-4-methylpenta-1,3-dien-2-ol?
The IUPAC name of (3Z)-5-imino-4-methylpenta-1,3-dien-2-ol (CID 144576007) is (3Z)-5-imino-4-methylpenta-1,3-dien-2-ol.
What is the SMILES notation for (3Z)-5-imino-4-methylpenta-1,3-dien-2-ol?
The canonical SMILES for (3Z)-5-imino-4-methylpenta-1,3-dien-2-ol is [H]/N=C/C(C)=C\C(=C)O.
What is the InChIKey of (3Z)-5-imino-4-methylpenta-1,3-dien-2-ol?
The InChIKey is ANYSMFDVPREBQQ-XKSOLRDRSA-N. The full InChI is InChI=1S/C6H9NO/c1-5(4-7)3-6(2)8/h3-4,7-8H,2H2,1H3/b5-3-,7-4+.
What are the key properties of (3Z)-5-imino-4-methylpenta-1,3-dien-2-ol?
(3Z)-5-imino-4-methylpenta-1,3-dien-2-ol has a molecular weight of 111.14 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-imino-4-methylpenta-1,3-dien-2-ol is sourced from PubChem (CID 144576007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).