(3Z)-4-methylidene-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-ol

C9H9NO — CID 142030210

IUPAC(3Z)-4-methylidene-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-ol
SMILESC=N/C=c1/cc(O)ccc1=C
InChIInChI=1S/C9H9NO/c1-7-3-4-9(11)5-8(7)6-10-2/h3-6,11H,1-2H2/b8-6-
InChIKeyZHPXJSHTVFBDNF-VURMDHGXSA-N
MW147.18 g/mol
LogP0.24
Rot. Bonds1

About (3Z)-4-methylidene-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-ol

(3Z)-4-methylidene-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-ol (PubChem CID 142030210) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is (3Z)-4-methylidene-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name(3Z)-4-methylidene-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-ol
PubChem CID142030210
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name(3Z)-4-methylidene-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-ol
SMILESC=N/C=c1/cc(O)ccc1=C
InChIInChI=1S/C9H9NO/c1-7-3-4-9(11)5-8(7)6-10-2/h3-6,11H,1-2H2/b8-6-
InChIKeyZHPXJSHTVFBDNF-VURMDHGXSA-N
XLogP0.24
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.24
H-Bond Donors ≤ 51
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 (3Z)-4-methylidene-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-ol?
The IUPAC name of (3Z)-4-methylidene-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-ol (CID 142030210) is (3Z)-4-methylidene-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for (3Z)-4-methylidene-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-ol?
The canonical SMILES for (3Z)-4-methylidene-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-ol is C=N/C=c1/cc(O)ccc1=C.
What is the InChIKey of (3Z)-4-methylidene-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-ol?
The InChIKey is ZHPXJSHTVFBDNF-VURMDHGXSA-N. The full InChI is InChI=1S/C9H9NO/c1-7-3-4-9(11)5-8(7)6-10-2/h3-6,11H,1-2H2/b8-6-.
What are the key properties of (3Z)-4-methylidene-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-ol?
(3Z)-4-methylidene-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-ol has a molecular weight of 147.18 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-methylidene-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 142030210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).