5-propan-2-yl-3,5a,6,6a-tetrahydro-1H-cyclopropa[e]indol-2-one

C12H15NO — CID 170792456

IUPAC5-propan-2-yl-3,5a,6,6a-tetrahydro-1H-cyclopropa[e]indol-2-one
SMILESCC(C)C1=CC2=C(CC(=O)N2)C2CC12
InChIInChI=1S/C12H15NO/c1-6(2)7-4-11-10(5-12(14)13-11)9-3-8(7)9/h4,6,8-9H,3,5H2,1-2H3,(H,13,14)
InChIKeyBRZHCNBQRUETOL-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.99
Rot. Bonds1

About 5-propan-2-yl-3,5a,6,6a-tetrahydro-1H-cyclopropa[e]indol-2-one

5-propan-2-yl-3,5a,6,6a-tetrahydro-1H-cyclopropa[e]indol-2-one (PubChem CID 170792456) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-propan-2-yl-3,5a,6,6a-tetrahydro-1H-cyclopropa[e]indol-2-one.

Molecular Properties

Compound Name5-propan-2-yl-3,5a,6,6a-tetrahydro-1H-cyclopropa[e]indol-2-one
PubChem CID170792456
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name5-propan-2-yl-3,5a,6,6a-tetrahydro-1H-cyclopropa[e]indol-2-one
SMILESCC(C)C1=CC2=C(CC(=O)N2)C2CC12
InChIInChI=1S/C12H15NO/c1-6(2)7-4-11-10(5-12(14)13-11)9-3-8(7)9/h4,6,8-9H,3,5H2,1-2H3,(H,13,14)
InChIKeyBRZHCNBQRUETOL-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3,5a,6,6a-tetrahydro-1H-cyclopropa[e]indol-2-one?
The IUPAC name of 5-propan-2-yl-3,5a,6,6a-tetrahydro-1H-cyclopropa[e]indol-2-one (CID 170792456) is 5-propan-2-yl-3,5a,6,6a-tetrahydro-1H-cyclopropa[e]indol-2-one.
What is the SMILES notation for 5-propan-2-yl-3,5a,6,6a-tetrahydro-1H-cyclopropa[e]indol-2-one?
The canonical SMILES for 5-propan-2-yl-3,5a,6,6a-tetrahydro-1H-cyclopropa[e]indol-2-one is CC(C)C1=CC2=C(CC(=O)N2)C2CC12.
What is the InChIKey of 5-propan-2-yl-3,5a,6,6a-tetrahydro-1H-cyclopropa[e]indol-2-one?
The InChIKey is BRZHCNBQRUETOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-6(2)7-4-11-10(5-12(14)13-11)9-3-8(7)9/h4,6,8-9H,3,5H2,1-2H3,(H,13,14).
What are the key properties of 5-propan-2-yl-3,5a,6,6a-tetrahydro-1H-cyclopropa[e]indol-2-one?
5-propan-2-yl-3,5a,6,6a-tetrahydro-1H-cyclopropa[e]indol-2-one has a molecular weight of 189.26 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3,5a,6,6a-tetrahydro-1H-cyclopropa[e]indol-2-one is sourced from PubChem (CID 170792456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).