4-(ethenylamino)-2-methylcyclohepta-2,4-dien-1-ol

C10H15NO — CID 143530062

IUPAC4-(ethenylamino)-2-methylcyclohepta-2,4-dien-1-ol
SMILESC=CNC1=CCCC(O)C(C)=C1
InChIInChI=1S/C10H15NO/c1-3-11-9-5-4-6-10(12)8(2)7-9/h3,5,7,10-12H,1,4,6H2,2H3
InChIKeyPWJQBZBPAKNIPM-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.70
Rot. Bonds2

About 4-(ethenylamino)-2-methylcyclohepta-2,4-dien-1-ol

4-(ethenylamino)-2-methylcyclohepta-2,4-dien-1-ol (PubChem CID 143530062) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-(ethenylamino)-2-methylcyclohepta-2,4-dien-1-ol.

Molecular Properties

Compound Name4-(ethenylamino)-2-methylcyclohepta-2,4-dien-1-ol
PubChem CID143530062
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-(ethenylamino)-2-methylcyclohepta-2,4-dien-1-ol
SMILESC=CNC1=CCCC(O)C(C)=C1
InChIInChI=1S/C10H15NO/c1-3-11-9-5-4-6-10(12)8(2)7-9/h3,5,7,10-12H,1,4,6H2,2H3
InChIKeyPWJQBZBPAKNIPM-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 143479730
ethane;5-methyl-4-[[(E)-2-(2,3,6,7-tetrahydro-1H-azepin-4-yl)ethenyl]amino]cyclohexa-2,4-dien-1-ol
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Frequently Asked Questions

What is the IUPAC name of 4-(ethenylamino)-2-methylcyclohepta-2,4-dien-1-ol?
The IUPAC name of 4-(ethenylamino)-2-methylcyclohepta-2,4-dien-1-ol (CID 143530062) is 4-(ethenylamino)-2-methylcyclohepta-2,4-dien-1-ol.
What is the SMILES notation for 4-(ethenylamino)-2-methylcyclohepta-2,4-dien-1-ol?
The canonical SMILES for 4-(ethenylamino)-2-methylcyclohepta-2,4-dien-1-ol is C=CNC1=CCCC(O)C(C)=C1.
What is the InChIKey of 4-(ethenylamino)-2-methylcyclohepta-2,4-dien-1-ol?
The InChIKey is PWJQBZBPAKNIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-11-9-5-4-6-10(12)8(2)7-9/h3,5,7,10-12H,1,4,6H2,2H3.
What are the key properties of 4-(ethenylamino)-2-methylcyclohepta-2,4-dien-1-ol?
4-(ethenylamino)-2-methylcyclohepta-2,4-dien-1-ol has a molecular weight of 165.24 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethenylamino)-2-methylcyclohepta-2,4-dien-1-ol is sourced from PubChem (CID 143530062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).