2-methyl-1-methylidene-4,5-dihydro-3H-2-benzazepin-8-ol

C12H15NO — CID 143989127

IUPAC2-methyl-1-methylidene-4,5-dihydro-3H-2-benzazepin-8-ol
SMILESC=C1c2cc(O)ccc2CCCN1C
InChIInChI=1S/C12H15NO/c1-9-12-8-11(14)6-5-10(12)4-3-7-13(9)2/h5-6,8,14H,1,3-4,7H2,2H3
InChIKeyIPOYVQCOFAOFQT-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.24
Rot. Bonds

About 2-methyl-1-methylidene-4,5-dihydro-3H-2-benzazepin-8-ol

2-methyl-1-methylidene-4,5-dihydro-3H-2-benzazepin-8-ol (PubChem CID 143989127) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-methyl-1-methylidene-4,5-dihydro-3H-2-benzazepin-8-ol.

Molecular Properties

Compound Name2-methyl-1-methylidene-4,5-dihydro-3H-2-benzazepin-8-ol
PubChem CID143989127
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-methyl-1-methylidene-4,5-dihydro-3H-2-benzazepin-8-ol
SMILESC=C1c2cc(O)ccc2CCCN1C
InChIInChI=1S/C12H15NO/c1-9-12-8-11(14)6-5-10(12)4-3-7-13(9)2/h5-6,8,14H,1,3-4,7H2,2H3
InChIKeyIPOYVQCOFAOFQT-UHFFFAOYSA-N
XLogP2.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 18536400
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylidene-4,5-dihydro-3H-2-benzazepin-8-ol?
The IUPAC name of 2-methyl-1-methylidene-4,5-dihydro-3H-2-benzazepin-8-ol (CID 143989127) is 2-methyl-1-methylidene-4,5-dihydro-3H-2-benzazepin-8-ol.
What is the SMILES notation for 2-methyl-1-methylidene-4,5-dihydro-3H-2-benzazepin-8-ol?
The canonical SMILES for 2-methyl-1-methylidene-4,5-dihydro-3H-2-benzazepin-8-ol is C=C1c2cc(O)ccc2CCCN1C.
What is the InChIKey of 2-methyl-1-methylidene-4,5-dihydro-3H-2-benzazepin-8-ol?
The InChIKey is IPOYVQCOFAOFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-12-8-11(14)6-5-10(12)4-3-7-13(9)2/h5-6,8,14H,1,3-4,7H2,2H3.
What are the key properties of 2-methyl-1-methylidene-4,5-dihydro-3H-2-benzazepin-8-ol?
2-methyl-1-methylidene-4,5-dihydro-3H-2-benzazepin-8-ol has a molecular weight of 189.26 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylidene-4,5-dihydro-3H-2-benzazepin-8-ol is sourced from PubChem (CID 143989127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).