(5Z)-6-imino-5-prop-2-enylidenecyclohexa-1,3-dien-1-ol

C9H9NO — CID 143375632

IUPAC(5Z)-6-imino-5-prop-2-enylidenecyclohexa-1,3-dien-1-ol
SMILES[H]/N=C1\C(O)=CC=C\C1=C\C=C
InChIInChI=1S/C9H9NO/c1-2-4-7-5-3-6-8(11)9(7)10/h2-6,10-11H,1H2/b7-4-,10-9-
InChIKeyFKJQJEZEFSXWJH-NSPOTZJRSA-N
MW147.18 g/mol
LogP2.13
Rot. Bonds1

About (5Z)-6-imino-5-prop-2-enylidenecyclohexa-1,3-dien-1-ol

(5Z)-6-imino-5-prop-2-enylidenecyclohexa-1,3-dien-1-ol (PubChem CID 143375632) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is (5Z)-6-imino-5-prop-2-enylidenecyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name(5Z)-6-imino-5-prop-2-enylidenecyclohexa-1,3-dien-1-ol
PubChem CID143375632
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name(5Z)-6-imino-5-prop-2-enylidenecyclohexa-1,3-dien-1-ol
SMILES[H]/N=C1\C(O)=CC=C\C1=C\C=C
InChIInChI=1S/C9H9NO/c1-2-4-7-5-3-6-8(11)9(7)10/h2-6,10-11H,1H2/b7-4-,10-9-
InChIKeyFKJQJEZEFSXWJH-NSPOTZJRSA-N
XLogP2.13
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-6-imino-5-prop-2-enylidenecyclohexa-1,3-dien-1-ol?
The IUPAC name of (5Z)-6-imino-5-prop-2-enylidenecyclohexa-1,3-dien-1-ol (CID 143375632) is (5Z)-6-imino-5-prop-2-enylidenecyclohexa-1,3-dien-1-ol.
What is the SMILES notation for (5Z)-6-imino-5-prop-2-enylidenecyclohexa-1,3-dien-1-ol?
The canonical SMILES for (5Z)-6-imino-5-prop-2-enylidenecyclohexa-1,3-dien-1-ol is [H]/N=C1\C(O)=CC=C\C1=C\C=C.
What is the InChIKey of (5Z)-6-imino-5-prop-2-enylidenecyclohexa-1,3-dien-1-ol?
The InChIKey is FKJQJEZEFSXWJH-NSPOTZJRSA-N. The full InChI is InChI=1S/C9H9NO/c1-2-4-7-5-3-6-8(11)9(7)10/h2-6,10-11H,1H2/b7-4-,10-9-.
What are the key properties of (5Z)-6-imino-5-prop-2-enylidenecyclohexa-1,3-dien-1-ol?
(5Z)-6-imino-5-prop-2-enylidenecyclohexa-1,3-dien-1-ol has a molecular weight of 147.18 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-6-imino-5-prop-2-enylidenecyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 143375632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).