molecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole

C11H13N — CID 162302713

IUPACmolecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole
SMILES[H][H].c1ccc2c3c([nH]c2c1)CCC3
InChIInChI=1S/C11H11N.H2/c1-2-6-10-8(4-1)9-5-3-7-11(9)12-10;/h1-2,4,6,12H,3,5,7H2;1H
InChIKeyBAZKALHLOFVXHN-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.90
Rot. Bonds

About molecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole

molecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole (PubChem CID 162302713) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is molecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole.

Molecular Properties

Compound Namemolecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole
PubChem CID162302713
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Namemolecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole
SMILES[H][H].c1ccc2c3c([nH]c2c1)CCC3
InChIInChI=1S/C11H11N.H2/c1-2-6-10-8(4-1)9-5-3-7-11(9)12-10;/h1-2,4,6,12H,3,5,7H2;1H
InChIKeyBAZKALHLOFVXHN-UHFFFAOYSA-N
XLogP2.90
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

cyclopropanamine;1,2,3,4-tetrahydrocyclopenta[b]indole;hydrochloride
CID 67693209
2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole
CID 15192091
1H-indole;2,3,4,9-tetrahydro-1H-carbazole
CID 161045949
2-methyl-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole;molecular hydrogen
CID 143420706
1,2,3,5-tetrahydrocyclopenta[c]quinoline-4-thione
CID 686232
2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium
CID 6931422
(Z)-N-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]-2,3,4,9-tetrahydrocarbazol-1-imine
CID 135400598
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 4770206
ethane;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 158166358
ethane;molecular hydrogen;2,3,4,5-tetrahydrothiopyrano[3,2-b]indole
CID 144858748
2,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium iodide
CID 2752150
1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine
CID 118402613

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole?
The IUPAC name of molecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole (CID 162302713) is molecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole.
What is the SMILES notation for molecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole?
The canonical SMILES for molecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole is [H][H].c1ccc2c3c([nH]c2c1)CCC3.
What is the InChIKey of molecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole?
The InChIKey is BAZKALHLOFVXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.H2/c1-2-6-10-8(4-1)9-5-3-7-11(9)12-10;/h1-2,4,6,12H,3,5,7H2;1H.
What are the key properties of molecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole?
molecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole has a molecular weight of 159.23 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole is sourced from PubChem (CID 162302713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).