5-amino-6-benzylidene-4-methylcyclohexa-2,4-dien-1-ol

C14H15NO — CID 70111631

IUPAC5-amino-6-benzylidene-4-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=C(N)C(=Cc2ccccc2)C(O)C=C1
InChIInChI=1S/C14H15NO/c1-10-7-8-13(16)12(14(10)15)9-11-5-3-2-4-6-11/h2-9,13,16H,15H2,1H3
InChIKeyAYYUICHSHCHDCM-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.23
Rot. Bonds1

About 5-amino-6-benzylidene-4-methylcyclohexa-2,4-dien-1-ol

5-amino-6-benzylidene-4-methylcyclohexa-2,4-dien-1-ol (PubChem CID 70111631) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-amino-6-benzylidene-4-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name5-amino-6-benzylidene-4-methylcyclohexa-2,4-dien-1-ol
PubChem CID70111631
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name5-amino-6-benzylidene-4-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=C(N)C(=Cc2ccccc2)C(O)C=C1
InChIInChI=1S/C14H15NO/c1-10-7-8-13(16)12(14(10)15)9-11-5-3-2-4-6-11/h2-9,13,16H,15H2,1H3
InChIKeyAYYUICHSHCHDCM-UHFFFAOYSA-N
XLogP2.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-benzylidene-4-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 5-amino-6-benzylidene-4-methylcyclohexa-2,4-dien-1-ol (CID 70111631) is 5-amino-6-benzylidene-4-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 5-amino-6-benzylidene-4-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 5-amino-6-benzylidene-4-methylcyclohexa-2,4-dien-1-ol is CC1=C(N)C(=Cc2ccccc2)C(O)C=C1.
What is the InChIKey of 5-amino-6-benzylidene-4-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is AYYUICHSHCHDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-10-7-8-13(16)12(14(10)15)9-11-5-3-2-4-6-11/h2-9,13,16H,15H2,1H3.
What are the key properties of 5-amino-6-benzylidene-4-methylcyclohexa-2,4-dien-1-ol?
5-amino-6-benzylidene-4-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 213.28 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-benzylidene-4-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 70111631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).