7-ethenylidene-6,8-dihydro-5H-naphthalen-1-amine

C12H13N — CID 143605987

IUPAC7-ethenylidene-6,8-dihydro-5H-naphthalen-1-amine
SMILESC=C=C1CCc2cccc(N)c2C1
InChIInChI=1S/C12H13N/c1-2-9-6-7-10-4-3-5-12(13)11(10)8-9/h3-5H,1,6-8,13H2
InChIKeyRWDRCTYGECMUHQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.47
Rot. Bonds

About 7-ethenylidene-6,8-dihydro-5H-naphthalen-1-amine

7-ethenylidene-6,8-dihydro-5H-naphthalen-1-amine (PubChem CID 143605987) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 7-ethenylidene-6,8-dihydro-5H-naphthalen-1-amine.

Molecular Properties

Compound Name7-ethenylidene-6,8-dihydro-5H-naphthalen-1-amine
PubChem CID143605987
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name7-ethenylidene-6,8-dihydro-5H-naphthalen-1-amine
SMILESC=C=C1CCc2cccc(N)c2C1
InChIInChI=1S/C12H13N/c1-2-9-6-7-10-4-3-5-12(13)11(10)8-9/h3-5H,1,6-8,13H2
InChIKeyRWDRCTYGECMUHQ-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethenylidene-6,8-dihydro-5H-naphthalen-1-amine?
The IUPAC name of 7-ethenylidene-6,8-dihydro-5H-naphthalen-1-amine (CID 143605987) is 7-ethenylidene-6,8-dihydro-5H-naphthalen-1-amine.
What is the SMILES notation for 7-ethenylidene-6,8-dihydro-5H-naphthalen-1-amine?
The canonical SMILES for 7-ethenylidene-6,8-dihydro-5H-naphthalen-1-amine is C=C=C1CCc2cccc(N)c2C1.
What is the InChIKey of 7-ethenylidene-6,8-dihydro-5H-naphthalen-1-amine?
The InChIKey is RWDRCTYGECMUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-2-9-6-7-10-4-3-5-12(13)11(10)8-9/h3-5H,1,6-8,13H2.
What are the key properties of 7-ethenylidene-6,8-dihydro-5H-naphthalen-1-amine?
7-ethenylidene-6,8-dihydro-5H-naphthalen-1-amine has a molecular weight of 171.24 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenylidene-6,8-dihydro-5H-naphthalen-1-amine is sourced from PubChem (CID 143605987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).