(7aR)-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[2,1-k]carbazol-1-one

C15H17NO — CID 132551726

IUPAC(7aR)-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[2,1-k]carbazol-1-one
SMILESO=C1CCC23CCCC[C@@H]2c2ccccc2N13
InChIInChI=1S/C15H17NO/c17-14-8-10-15-9-4-3-6-12(15)11-5-1-2-7-13(11)16(14)15/h1-2,5,7,12H,3-4,6,8-10H2/t12-,15?/m1/s1
InChIKeyPEERJWFUUBBHDD-KEKZHRQWSA-N
MW227.31 g/mol
LogP3.22
Rot. Bonds

About (7aR)-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[2,1-k]carbazol-1-one

(7aR)-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[2,1-k]carbazol-1-one (PubChem CID 132551726) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (7aR)-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[2,1-k]carbazol-1-one.

Molecular Properties

Compound Name(7aR)-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[2,1-k]carbazol-1-one
PubChem CID132551726
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(7aR)-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[2,1-k]carbazol-1-one
SMILESO=C1CCC23CCCC[C@@H]2c2ccccc2N13
InChIInChI=1S/C15H17NO/c17-14-8-10-15-9-4-3-6-12(15)11-5-1-2-7-13(11)16(14)15/h1-2,5,7,12H,3-4,6,8-10H2/t12-,15?/m1/s1
InChIKeyPEERJWFUUBBHDD-KEKZHRQWSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (7aR)-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[2,1-k]carbazol-1-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (7aR)-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[2,1-k]carbazol-1-one?
The IUPAC name of (7aR)-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[2,1-k]carbazol-1-one (CID 132551726) is (7aR)-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[2,1-k]carbazol-1-one.
What is the SMILES notation for (7aR)-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[2,1-k]carbazol-1-one?
The canonical SMILES for (7aR)-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[2,1-k]carbazol-1-one is O=C1CCC23CCCC[C@@H]2c2ccccc2N13.
What is the InChIKey of (7aR)-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[2,1-k]carbazol-1-one?
The InChIKey is PEERJWFUUBBHDD-KEKZHRQWSA-N. The full InChI is InChI=1S/C15H17NO/c17-14-8-10-15-9-4-3-6-12(15)11-5-1-2-7-13(11)16(14)15/h1-2,5,7,12H,3-4,6,8-10H2/t12-,15?/m1/s1.
What are the key properties of (7aR)-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[2,1-k]carbazol-1-one?
(7aR)-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[2,1-k]carbazol-1-one has a molecular weight of 227.31 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[2,1-k]carbazol-1-one is sourced from PubChem (CID 132551726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).