6-propan-2-ylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one

C14H17NO — CID 138530779

IUPAC6-propan-2-ylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one
SMILESCC(C)c1ccc2c(c1)CC(=O)NC21CC1
InChIInChI=1S/C14H17NO/c1-9(2)10-3-4-12-11(7-10)8-13(16)15-14(12)5-6-14/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyWSRFZLJABIIHQA-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.47
Rot. Bonds1

About 6-propan-2-ylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one

6-propan-2-ylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one (PubChem CID 138530779) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 6-propan-2-ylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name6-propan-2-ylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one
PubChem CID138530779
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name6-propan-2-ylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one
SMILESCC(C)c1ccc2c(c1)CC(=O)NC21CC1
InChIInChI=1S/C14H17NO/c1-9(2)10-3-4-12-11(7-10)8-13(16)15-14(12)5-6-14/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyWSRFZLJABIIHQA-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-6-propan-2-ylspiro[1,2-dihydroindene-3,5'-pyrrolidine]-2'-one
CID 167207593
6-ethylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one
CID 138536074
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
6-propan-2-ylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
CID 169049710
6-propan-2-ylspiro[2H-indene-3,1'-cyclopropane]-1-one
CID 83753374
3,3-dimethyl-6-propan-2-yl-2H-inden-1-one
CID 79837737
8-propan-2-yl-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one
CID 137457123
3-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 157156221
molecular hydrogen;7-propan-2-yl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 176993371
1'-(2-propan-2-yloxyethyl)spiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one
CID 121359665
ethane;5-propan-2-yl-2,3-dihydro-1H-isoindole
CID 161239828
2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]
CID 156637555

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one?
The IUPAC name of 6-propan-2-ylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one (CID 138530779) is 6-propan-2-ylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one.
What is the SMILES notation for 6-propan-2-ylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one?
The canonical SMILES for 6-propan-2-ylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one is CC(C)c1ccc2c(c1)CC(=O)NC21CC1.
What is the InChIKey of 6-propan-2-ylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one?
The InChIKey is WSRFZLJABIIHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-9(2)10-3-4-12-11(7-10)8-13(16)15-14(12)5-6-14/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of 6-propan-2-ylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one?
6-propan-2-ylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one has a molecular weight of 215.30 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one is sourced from PubChem (CID 138530779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).