2-imino-3,8a-dihydronaphthalen-1-one

C10H9NO — CID 155040931

IUPAC2-imino-3,8a-dihydronaphthalen-1-one
SMILES[H]/N=C1\CC=C2C=CC=CC2C1=O
InChIInChI=1S/C10H9NO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-5,8,11H,6H2/b11-9+
InChIKeyKRFRJJZLQQQIQF-PKNBQFBNSA-N
MW159.19 g/mol
LogP1.65
Rot. Bonds

About 2-imino-3,8a-dihydronaphthalen-1-one

2-imino-3,8a-dihydronaphthalen-1-one (PubChem CID 155040931) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-imino-3,8a-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2-imino-3,8a-dihydronaphthalen-1-one
PubChem CID155040931
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name2-imino-3,8a-dihydronaphthalen-1-one
SMILES[H]/N=C1\CC=C2C=CC=CC2C1=O
InChIInChI=1S/C10H9NO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-5,8,11H,6H2/b11-9+
InChIKeyKRFRJJZLQQQIQF-PKNBQFBNSA-N
XLogP1.65
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imino-3,8a-dihydronaphthalen-1-one?
The IUPAC name of 2-imino-3,8a-dihydronaphthalen-1-one (CID 155040931) is 2-imino-3,8a-dihydronaphthalen-1-one.
What is the SMILES notation for 2-imino-3,8a-dihydronaphthalen-1-one?
The canonical SMILES for 2-imino-3,8a-dihydronaphthalen-1-one is [H]/N=C1\CC=C2C=CC=CC2C1=O.
What is the InChIKey of 2-imino-3,8a-dihydronaphthalen-1-one?
The InChIKey is KRFRJJZLQQQIQF-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H9NO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-5,8,11H,6H2/b11-9+.
What are the key properties of 2-imino-3,8a-dihydronaphthalen-1-one?
2-imino-3,8a-dihydronaphthalen-1-one has a molecular weight of 159.19 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3,8a-dihydronaphthalen-1-one is sourced from PubChem (CID 155040931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).