5-(1-aminoethenyl)-3-methyl-7-methylidene-8H-naphthalen-2-ol

C14H15NO — CID 170233827

IUPAC5-(1-aminoethenyl)-3-methyl-7-methylidene-8H-naphthalen-2-ol
SMILESC=C1C=C(C(=C)N)c2cc(C)c(O)cc2C1
InChIInChI=1S/C14H15NO/c1-8-4-11-7-14(16)9(2)6-13(11)12(5-8)10(3)15/h5-7,16H,1,3-4,15H2,2H3
InChIKeyAKSOZAYKSOGHCI-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.67
Rot. Bonds1

About 5-(1-aminoethenyl)-3-methyl-7-methylidene-8H-naphthalen-2-ol

5-(1-aminoethenyl)-3-methyl-7-methylidene-8H-naphthalen-2-ol (PubChem CID 170233827) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-(1-aminoethenyl)-3-methyl-7-methylidene-8H-naphthalen-2-ol.

Molecular Properties

Compound Name5-(1-aminoethenyl)-3-methyl-7-methylidene-8H-naphthalen-2-ol
PubChem CID170233827
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name5-(1-aminoethenyl)-3-methyl-7-methylidene-8H-naphthalen-2-ol
SMILESC=C1C=C(C(=C)N)c2cc(C)c(O)cc2C1
InChIInChI=1S/C14H15NO/c1-8-4-11-7-14(16)9(2)6-13(11)12(5-8)10(3)15/h5-7,16H,1,3-4,15H2,2H3
InChIKeyAKSOZAYKSOGHCI-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethenyl)-3-methyl-7-methylidene-8H-naphthalen-2-ol?
The IUPAC name of 5-(1-aminoethenyl)-3-methyl-7-methylidene-8H-naphthalen-2-ol (CID 170233827) is 5-(1-aminoethenyl)-3-methyl-7-methylidene-8H-naphthalen-2-ol.
What is the SMILES notation for 5-(1-aminoethenyl)-3-methyl-7-methylidene-8H-naphthalen-2-ol?
The canonical SMILES for 5-(1-aminoethenyl)-3-methyl-7-methylidene-8H-naphthalen-2-ol is C=C1C=C(C(=C)N)c2cc(C)c(O)cc2C1.
What is the InChIKey of 5-(1-aminoethenyl)-3-methyl-7-methylidene-8H-naphthalen-2-ol?
The InChIKey is AKSOZAYKSOGHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-8-4-11-7-14(16)9(2)6-13(11)12(5-8)10(3)15/h5-7,16H,1,3-4,15H2,2H3.
What are the key properties of 5-(1-aminoethenyl)-3-methyl-7-methylidene-8H-naphthalen-2-ol?
5-(1-aminoethenyl)-3-methyl-7-methylidene-8H-naphthalen-2-ol has a molecular weight of 213.28 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethenyl)-3-methyl-7-methylidene-8H-naphthalen-2-ol is sourced from PubChem (CID 170233827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).