6-(cyclopenten-1-yl)-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine

C17H21N — CID 67224046

IUPAC6-(cyclopenten-1-yl)-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
SMILESC1=C(c2ccc3c(c2)C2CCCNC2C3)CCC1
InChIInChI=1S/C17H21N/c1-2-5-12(4-1)13-7-8-14-11-17-15(16(14)10-13)6-3-9-18-17/h4,7-8,10,15,17-18H,1-3,5-6,9,11H2
InChIKeyKCJYGNALSCTFOW-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.65
Rot. Bonds1

About 6-(cyclopenten-1-yl)-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine

6-(cyclopenten-1-yl)-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine (PubChem CID 67224046) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 6-(cyclopenten-1-yl)-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine.

Molecular Properties

Compound Name6-(cyclopenten-1-yl)-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
PubChem CID67224046
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name6-(cyclopenten-1-yl)-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
SMILESC1=C(c2ccc3c(c2)C2CCCNC2C3)CCC1
InChIInChI=1S/C17H21N/c1-2-5-12(4-1)13-7-8-14-11-17-15(16(14)10-13)6-3-9-18-17/h4,7-8,10,15,17-18H,1-3,5-6,9,11H2
InChIKeyKCJYGNALSCTFOW-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopenten-1-yl)-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine?
The IUPAC name of 6-(cyclopenten-1-yl)-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine (CID 67224046) is 6-(cyclopenten-1-yl)-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine.
What is the SMILES notation for 6-(cyclopenten-1-yl)-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine?
The canonical SMILES for 6-(cyclopenten-1-yl)-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine is C1=C(c2ccc3c(c2)C2CCCNC2C3)CCC1.
What is the InChIKey of 6-(cyclopenten-1-yl)-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine?
The InChIKey is KCJYGNALSCTFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-2-5-12(4-1)13-7-8-14-11-17-15(16(14)10-13)6-3-9-18-17/h4,7-8,10,15,17-18H,1-3,5-6,9,11H2.
What are the key properties of 6-(cyclopenten-1-yl)-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine?
6-(cyclopenten-1-yl)-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine has a molecular weight of 239.36 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopenten-1-yl)-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine is sourced from PubChem (CID 67224046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).