3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-7-one

C11H11NO2 — CID 59962429

IUPAC3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-7-one
SMILESCC(=O)N1CC2CC23C(=O)C=CC=C13
InChIInChI=1S/C11H11NO2/c1-7(13)12-6-8-5-11(8)9(12)3-2-4-10(11)14/h2-4,8H,5-6H2,1H3
InChIKeyDOCCGXVBKGFFMN-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.88
Rot. Bonds

About 3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-7-one

3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-7-one (PubChem CID 59962429) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-7-one.

Molecular Properties

Compound Name3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-7-one
PubChem CID59962429
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-7-one
SMILESCC(=O)N1CC2CC23C(=O)C=CC=C13
InChIInChI=1S/C11H11NO2/c1-7(13)12-6-8-5-11(8)9(12)3-2-4-10(11)14/h2-4,8H,5-6H2,1H3
InChIKeyDOCCGXVBKGFFMN-UHFFFAOYSA-N
XLogP0.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1aS,7aS)-1a,3-dimethyl-1H-cyclopropa[c]indole-2,5-dione
CID 134964816
(1AS)-3-acetyl-2,3-dihydro-1H-cyclopropa[c]indol-5(1aH)-one
CID 45119217
methyl-(7-oxo-1a,2-dihydro-1H-cyclopropa[c]indol-3-yl)borinic acid
CID 59962428
11-Acetyl-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3(8),9-dien-2-one
CID 59962453
(7aS)-3-(2-methylpropanoyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
CID 117632822
(1aS)-3-(2-methylpropanoyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
CID 117733253
6-Acetyl-6-azatetracyclo[8.6.0.02,4.02,7]hexadeca-1(10),7,11,13,15-pentaen-9-one
CID 123673943
1,1a,2,3-Tetrahydrocyclopropa[c]indol-7-one
CID 141948677
(1Z,2R,4S,13Z,15Z)-6-acetyl-6-azatetracyclo[8.7.0.02,4.02,7]heptadeca-1(17),7,10,13,15-pentaen-9-one
CID 163698338
3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
CID 85612615
(1aS,7aS)-3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
CID 93511934
(1aS,7aR)-3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
CID 98055678

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-7-one?
The IUPAC name of 3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-7-one (CID 59962429) is 3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-7-one.
What is the SMILES notation for 3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-7-one?
The canonical SMILES for 3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-7-one is CC(=O)N1CC2CC23C(=O)C=CC=C13.
What is the InChIKey of 3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-7-one?
The InChIKey is DOCCGXVBKGFFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7(13)12-6-8-5-11(8)9(12)3-2-4-10(11)14/h2-4,8H,5-6H2,1H3.
What are the key properties of 3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-7-one?
3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-7-one has a molecular weight of 189.21 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-7-one is sourced from PubChem (CID 59962429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).