6-methanimidoyl-2-prop-2-enylcyclohexa-1,5-dien-1-ol

C10H13NO — CID 142596756

IUPAC6-methanimidoyl-2-prop-2-enylcyclohexa-1,5-dien-1-ol
SMILES[H]/N=C/C1=CCCC(CC=C)=C1O
InChIInChI=1S/C10H13NO/c1-2-4-8-5-3-6-9(7-11)10(8)12/h2,6-7,11-12H,1,3-5H2/b11-7+
InChIKeyPKHPOTAUCBSJKL-YRNVUSSQSA-N
MW163.22 g/mol
LogP2.74
Rot. Bonds3

About 6-methanimidoyl-2-prop-2-enylcyclohexa-1,5-dien-1-ol

6-methanimidoyl-2-prop-2-enylcyclohexa-1,5-dien-1-ol (PubChem CID 142596756) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 6-methanimidoyl-2-prop-2-enylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name6-methanimidoyl-2-prop-2-enylcyclohexa-1,5-dien-1-ol
PubChem CID142596756
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name6-methanimidoyl-2-prop-2-enylcyclohexa-1,5-dien-1-ol
SMILES[H]/N=C/C1=CCCC(CC=C)=C1O
InChIInChI=1S/C10H13NO/c1-2-4-8-5-3-6-9(7-11)10(8)12/h2,6-7,11-12H,1,3-5H2/b11-7+
InChIKeyPKHPOTAUCBSJKL-YRNVUSSQSA-N
XLogP2.74
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E,6Z)-4-methanimidoylocta-4,6-dien-3-ol
CID 89771739
(2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol
CID 126695369
(4Z,5Z)-4-ethylidene-5-(1-iminopropan-2-ylidene)cyclohexa-2,6-diene-1,2-diol
CID 136594381
(5Z,6E)-6-ethylidene-5-(1-iminopropan-2-ylidene)cyclohexa-1,3-diene-1,2-diol
CID 136594424
(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-ol
CID 138508447
(3Z)-3-methanimidoyl-5-methylidenehepta-1,3-dien-2-ol
CID 142016028
(2E,4E,7E,9Z)-7-ethyl-1-imino-2-methyl-6-propan-2-ylidenedodeca-2,4,7,9,11-pentaen-4-ol
CID 142350881
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
7-Methanimidoyl-3-methylcyclohepta-1,4,6-trien-1-ol
CID 144151344
7-Methanimidoylcyclohepta-1,4,6-trien-1-ol
CID 144213310

Frequently Asked Questions

What is the IUPAC name of 6-methanimidoyl-2-prop-2-enylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 6-methanimidoyl-2-prop-2-enylcyclohexa-1,5-dien-1-ol (CID 142596756) is 6-methanimidoyl-2-prop-2-enylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 6-methanimidoyl-2-prop-2-enylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 6-methanimidoyl-2-prop-2-enylcyclohexa-1,5-dien-1-ol is [H]/N=C/C1=CCCC(CC=C)=C1O.
What is the InChIKey of 6-methanimidoyl-2-prop-2-enylcyclohexa-1,5-dien-1-ol?
The InChIKey is PKHPOTAUCBSJKL-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-4-8-5-3-6-9(7-11)10(8)12/h2,6-7,11-12H,1,3-5H2/b11-7+.
What are the key properties of 6-methanimidoyl-2-prop-2-enylcyclohexa-1,5-dien-1-ol?
6-methanimidoyl-2-prop-2-enylcyclohexa-1,5-dien-1-ol has a molecular weight of 163.22 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methanimidoyl-2-prop-2-enylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 142596756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).