2'-methyl-2'-prop-1-en-2-ylspiro[2-benzofuran-3,1'-cyclopropane]-1-one

C14H14O2 — CID 134921823

IUPAC2'-methyl-2'-prop-1-en-2-ylspiro[2-benzofuran-3,1'-cyclopropane]-1-one
SMILESC=C(C)C1(C)CC12OC(=O)c1ccccc12
InChIInChI=1S/C14H14O2/c1-9(2)13(3)8-14(13)11-7-5-4-6-10(11)12(15)16-14/h4-7H,1,8H2,2-3H3
InChIKeyXNRVCLYRRSILLX-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.04
Rot. Bonds1

About 2'-methyl-2'-prop-1-en-2-ylspiro[2-benzofuran-3,1'-cyclopropane]-1-one

2'-methyl-2'-prop-1-en-2-ylspiro[2-benzofuran-3,1'-cyclopropane]-1-one (PubChem CID 134921823) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2'-methyl-2'-prop-1-en-2-ylspiro[2-benzofuran-3,1'-cyclopropane]-1-one.

Molecular Properties

Compound Name2'-methyl-2'-prop-1-en-2-ylspiro[2-benzofuran-3,1'-cyclopropane]-1-one
PubChem CID134921823
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name2'-methyl-2'-prop-1-en-2-ylspiro[2-benzofuran-3,1'-cyclopropane]-1-one
SMILESC=C(C)C1(C)CC12OC(=O)c1ccccc12
InChIInChI=1S/C14H14O2/c1-9(2)13(3)8-14(13)11-7-5-4-6-10(11)12(15)16-14/h4-7H,1,8H2,2-3H3
InChIKeyXNRVCLYRRSILLX-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

benzene;3,3-dimethyl-2-benzofuran-1-one;ethane;methoxymethane
CID 91422174
(1S,14S,16R,19R)-16,19-dimethyl-15,18-dioxapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene-16,19-diol
CID 102180606
9-methyl-9-prop-1-en-2-ylfluorene
CID 10911089
3-methoxy-3-methyl-2-benzofuran-1-one
CID 15483639
3-hydroxy-3-phenyl-2-benzofuran-1-one
CID 12677389
3-methyl-3-(4-phenylphenyl)-2-benzofuran-1-one
CID 100934650
ethane;spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90737087
3-[di(propan-2-yl)amino]-3-phenyl-2-benzofuran-1-one
CID 13221616
(3S)-3-methoxy-3-phenyl-2-benzofuran-1-one
CID 1224663
acetic acid;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 2734982
1,1,3,3-tetramethylspiro[cyclobutane-2,9'-fluorene]
CID 153467797
1-iodo-3-oxo-2-benzofuran-1-carbonitrile
CID 121416104

Frequently Asked Questions

What is the IUPAC name of 2'-methyl-2'-prop-1-en-2-ylspiro[2-benzofuran-3,1'-cyclopropane]-1-one?
The IUPAC name of 2'-methyl-2'-prop-1-en-2-ylspiro[2-benzofuran-3,1'-cyclopropane]-1-one (CID 134921823) is 2'-methyl-2'-prop-1-en-2-ylspiro[2-benzofuran-3,1'-cyclopropane]-1-one.
What is the SMILES notation for 2'-methyl-2'-prop-1-en-2-ylspiro[2-benzofuran-3,1'-cyclopropane]-1-one?
The canonical SMILES for 2'-methyl-2'-prop-1-en-2-ylspiro[2-benzofuran-3,1'-cyclopropane]-1-one is C=C(C)C1(C)CC12OC(=O)c1ccccc12.
What is the InChIKey of 2'-methyl-2'-prop-1-en-2-ylspiro[2-benzofuran-3,1'-cyclopropane]-1-one?
The InChIKey is XNRVCLYRRSILLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-9(2)13(3)8-14(13)11-7-5-4-6-10(11)12(15)16-14/h4-7H,1,8H2,2-3H3.
What are the key properties of 2'-methyl-2'-prop-1-en-2-ylspiro[2-benzofuran-3,1'-cyclopropane]-1-one?
2'-methyl-2'-prop-1-en-2-ylspiro[2-benzofuran-3,1'-cyclopropane]-1-one has a molecular weight of 214.26 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methyl-2'-prop-1-en-2-ylspiro[2-benzofuran-3,1'-cyclopropane]-1-one is sourced from PubChem (CID 134921823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).