2-(cyclopropylmethyl)-3,4-dihydro-2H-naphthalen-1-one

C14H16O — CID 79429212

IUPAC2-(cyclopropylmethyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1CC1CC1
InChIInChI=1S/C14H16O/c15-14-12(9-10-5-6-10)8-7-11-3-1-2-4-13(11)14/h1-4,10,12H,5-9H2
InChIKeyVQVIGNPLOQDTRV-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.23
Rot. Bonds2

About 2-(cyclopropylmethyl)-3,4-dihydro-2H-naphthalen-1-one

2-(cyclopropylmethyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 79429212) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID79429212
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name2-(cyclopropylmethyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1CC1CC1
InChIInChI=1S/C14H16O/c15-14-12(9-10-5-6-10)8-7-11-3-1-2-4-13(11)14/h1-4,10,12H,5-9H2
InChIKeyVQVIGNPLOQDTRV-UHFFFAOYSA-N
XLogP3.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-(cyclopropylmethyl)-3,4-dihydro-2H-naphthalen-1-one (CID 79429212) is 2-(cyclopropylmethyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-(cyclopropylmethyl)-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccccc2CCC1CC1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is VQVIGNPLOQDTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c15-14-12(9-10-5-6-10)8-7-11-3-1-2-4-13(11)14/h1-4,10,12H,5-9H2.
What are the key properties of 2-(cyclopropylmethyl)-3,4-dihydro-2H-naphthalen-1-one?
2-(cyclopropylmethyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 200.28 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 79429212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).