6-propan-2-ylspiro[2H-indene-3,1'-cyclopropane]-1-one

C14H16O — CID 83753374

IUPAC6-propan-2-ylspiro[2H-indene-3,1'-cyclopropane]-1-one
SMILESCC(C)c1ccc2c(c1)C(=O)CC21CC1
InChIInChI=1S/C14H16O/c1-9(2)10-3-4-12-11(7-10)13(15)8-14(12)5-6-14/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyVWAZOOWLHXGHHX-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.43
Rot. Bonds1

About 6-propan-2-ylspiro[2H-indene-3,1'-cyclopropane]-1-one

6-propan-2-ylspiro[2H-indene-3,1'-cyclopropane]-1-one (PubChem CID 83753374) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 6-propan-2-ylspiro[2H-indene-3,1'-cyclopropane]-1-one.

Molecular Properties

Compound Name6-propan-2-ylspiro[2H-indene-3,1'-cyclopropane]-1-one
PubChem CID83753374
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name6-propan-2-ylspiro[2H-indene-3,1'-cyclopropane]-1-one
SMILESCC(C)c1ccc2c(c1)C(=O)CC21CC1
InChIInChI=1S/C14H16O/c1-9(2)10-3-4-12-11(7-10)13(15)8-14(12)5-6-14/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyVWAZOOWLHXGHHX-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylspiro[2H-indene-3,1'-cyclopropane]-1-one?
The IUPAC name of 6-propan-2-ylspiro[2H-indene-3,1'-cyclopropane]-1-one (CID 83753374) is 6-propan-2-ylspiro[2H-indene-3,1'-cyclopropane]-1-one.
What is the SMILES notation for 6-propan-2-ylspiro[2H-indene-3,1'-cyclopropane]-1-one?
The canonical SMILES for 6-propan-2-ylspiro[2H-indene-3,1'-cyclopropane]-1-one is CC(C)c1ccc2c(c1)C(=O)CC21CC1.
What is the InChIKey of 6-propan-2-ylspiro[2H-indene-3,1'-cyclopropane]-1-one?
The InChIKey is VWAZOOWLHXGHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-9(2)10-3-4-12-11(7-10)13(15)8-14(12)5-6-14/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of 6-propan-2-ylspiro[2H-indene-3,1'-cyclopropane]-1-one?
6-propan-2-ylspiro[2H-indene-3,1'-cyclopropane]-1-one has a molecular weight of 200.28 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylspiro[2H-indene-3,1'-cyclopropane]-1-one is sourced from PubChem (CID 83753374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).