(1aS,7aR)-3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one

C11H11NO2 — CID 98055678

IUPAC(1aS,7aR)-3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
SMILESCC(=O)N1C[C@H]2C[C@@]23C=CC(=O)C=C13
InChIInChI=1S/C11H11NO2/c1-7(13)12-6-8-5-11(8)3-2-9(14)4-10(11)12/h2-4,8H,5-6H2,1H3/t8-,11+/m1/s1
InChIKeyWPWVSBDTHXWUTL-KCJUWKMLSA-N
MW189.21 g/mol
LogP0.88
Rot. Bonds

About (1aS,7aR)-3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one

(1aS,7aR)-3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one (PubChem CID 98055678) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (1aS,7aR)-3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one.

Molecular Properties

Compound Name(1aS,7aR)-3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
PubChem CID98055678
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(1aS,7aR)-3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
SMILESCC(=O)N1C[C@H]2C[C@@]23C=CC(=O)C=C13
InChIInChI=1S/C11H11NO2/c1-7(13)12-6-8-5-11(8)3-2-9(14)4-10(11)12/h2-4,8H,5-6H2,1H3/t8-,11+/m1/s1
InChIKeyWPWVSBDTHXWUTL-KCJUWKMLSA-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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Frequently Asked Questions

What is the IUPAC name of (1aS,7aR)-3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one?
The IUPAC name of (1aS,7aR)-3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one (CID 98055678) is (1aS,7aR)-3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one.
What is the SMILES notation for (1aS,7aR)-3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one?
The canonical SMILES for (1aS,7aR)-3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one is CC(=O)N1C[C@H]2C[C@@]23C=CC(=O)C=C13.
What is the InChIKey of (1aS,7aR)-3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one?
The InChIKey is WPWVSBDTHXWUTL-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7(13)12-6-8-5-11(8)3-2-9(14)4-10(11)12/h2-4,8H,5-6H2,1H3/t8-,11+/m1/s1.
What are the key properties of (1aS,7aR)-3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one?
(1aS,7aR)-3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-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 (1aS,7aR)-3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one is sourced from PubChem (CID 98055678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).