spiro[7,8-dihydroisoquinoline-6,1'-cyclopropane]-5-one

C11H11NO — CID 112714409

IUPACspiro[7,8-dihydroisoquinoline-6,1'-cyclopropane]-5-one
SMILESO=C1c2ccncc2CCC12CC2
InChIInChI=1S/C11H11NO/c13-10-9-2-6-12-7-8(9)1-3-11(10)4-5-11/h2,6-7H,1,3-5H2
InChIKeyAKOWBHXRCWVNPF-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.99
Rot. Bonds

About spiro[7,8-dihydroisoquinoline-6,1'-cyclopropane]-5-one

spiro[7,8-dihydroisoquinoline-6,1'-cyclopropane]-5-one (PubChem CID 112714409) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is spiro[7,8-dihydroisoquinoline-6,1'-cyclopropane]-5-one.

Molecular Properties

Compound Namespiro[7,8-dihydroisoquinoline-6,1'-cyclopropane]-5-one
PubChem CID112714409
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Namespiro[7,8-dihydroisoquinoline-6,1'-cyclopropane]-5-one
SMILESO=C1c2ccncc2CCC12CC2
InChIInChI=1S/C11H11NO/c13-10-9-2-6-12-7-8(9)1-3-11(10)4-5-11/h2,6-7H,1,3-5H2
InChIKeyAKOWBHXRCWVNPF-UHFFFAOYSA-N
XLogP1.99
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Metyrapone
CID 4174
4-Benzoylpyridine
CID 26731
17-(3-Pyridinyl)androsta-4,16-dien-3-one
CID 196941
Phenyl-3-pyridinylmethanone
CID 21540
2-Benzoylpyridine
CID 7038
10,10-Bis(4-pyridinylmethyl)-9(10H)-anthracenone
CID 656732
(4-Fluorophenyl)(pyridin-4-yl)methanone
CID 7023019
Prt-4165
CID 207893
Benzo(g)isoquinoline-5,10-dione
CID 100650
1-(4-Pyridinyl)-1-propanone
CID 74343
2-Phenyl-1-(pyridin-2-yl)ethan-1-one
CID 256073
1-Phenyl-2-(4-pyridinyl)ethanone
CID 287104

Frequently Asked Questions

What is the IUPAC name of spiro[7,8-dihydroisoquinoline-6,1'-cyclopropane]-5-one?
The IUPAC name of spiro[7,8-dihydroisoquinoline-6,1'-cyclopropane]-5-one (CID 112714409) is spiro[7,8-dihydroisoquinoline-6,1'-cyclopropane]-5-one.
What is the SMILES notation for spiro[7,8-dihydroisoquinoline-6,1'-cyclopropane]-5-one?
The canonical SMILES for spiro[7,8-dihydroisoquinoline-6,1'-cyclopropane]-5-one is O=C1c2ccncc2CCC12CC2.
What is the InChIKey of spiro[7,8-dihydroisoquinoline-6,1'-cyclopropane]-5-one?
The InChIKey is AKOWBHXRCWVNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c13-10-9-2-6-12-7-8(9)1-3-11(10)4-5-11/h2,6-7H,1,3-5H2.
What are the key properties of spiro[7,8-dihydroisoquinoline-6,1'-cyclopropane]-5-one?
spiro[7,8-dihydroisoquinoline-6,1'-cyclopropane]-5-one has a molecular weight of 173.22 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[7,8-dihydroisoquinoline-6,1'-cyclopropane]-5-one is sourced from PubChem (CID 112714409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).