2-ethoxy-5,6,7,8,9,10-hexahydrocyclohepta[b]indole

C15H19NO — CID 107958588

IUPAC2-ethoxy-5,6,7,8,9,10-hexahydrocyclohepta[b]indole
SMILESCCOc1ccc2[nH]c3c(c2c1)CCCCC3
InChIInChI=1S/C15H19NO/c1-2-17-11-8-9-15-13(10-11)12-6-4-3-5-7-14(12)16-15/h8-10,16H,2-7H2,1H3
InChIKeyXZQSINQKLNTXHV-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.84
Rot. Bonds2

About 2-ethoxy-5,6,7,8,9,10-hexahydrocyclohepta[b]indole

2-ethoxy-5,6,7,8,9,10-hexahydrocyclohepta[b]indole (PubChem CID 107958588) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-ethoxy-5,6,7,8,9,10-hexahydrocyclohepta[b]indole.

Molecular Properties

Compound Name2-ethoxy-5,6,7,8,9,10-hexahydrocyclohepta[b]indole
PubChem CID107958588
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-ethoxy-5,6,7,8,9,10-hexahydrocyclohepta[b]indole
SMILESCCOc1ccc2[nH]c3c(c2c1)CCCCC3
InChIInChI=1S/C15H19NO/c1-2-17-11-8-9-15-13(10-11)12-6-4-3-5-7-14(12)16-15/h8-10,16H,2-7H2,1H3
InChIKeyXZQSINQKLNTXHV-UHFFFAOYSA-N
XLogP3.84
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-ethoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 4777842
7-ethoxy-3,4-dihydro-2H-cyclopenta[b]indol-1-one
CID 107958537
6,7,8,9-tetrahydro-5H-carbazol-3-ylmethanamine
CID 3156790
2,7-diethoxy-10H-acridin-9-one
CID 163923657
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 4770206
2-ethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
CID 63351442
7-[[4-cyclopentyloxy-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 141379893
5-ethoxy-3-methyl-1H-indole
CID 82490542
3-oxobutan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 46792554
N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46560236
6-ethoxy-1-[4-(2-methylpropoxy)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3403065
4-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide
CID 4046987

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5,6,7,8,9,10-hexahydrocyclohepta[b]indole?
The IUPAC name of 2-ethoxy-5,6,7,8,9,10-hexahydrocyclohepta[b]indole (CID 107958588) is 2-ethoxy-5,6,7,8,9,10-hexahydrocyclohepta[b]indole.
What is the SMILES notation for 2-ethoxy-5,6,7,8,9,10-hexahydrocyclohepta[b]indole?
The canonical SMILES for 2-ethoxy-5,6,7,8,9,10-hexahydrocyclohepta[b]indole is CCOc1ccc2[nH]c3c(c2c1)CCCCC3.
What is the InChIKey of 2-ethoxy-5,6,7,8,9,10-hexahydrocyclohepta[b]indole?
The InChIKey is XZQSINQKLNTXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-17-11-8-9-15-13(10-11)12-6-4-3-5-7-14(12)16-15/h8-10,16H,2-7H2,1H3.
What are the key properties of 2-ethoxy-5,6,7,8,9,10-hexahydrocyclohepta[b]indole?
2-ethoxy-5,6,7,8,9,10-hexahydrocyclohepta[b]indole has a molecular weight of 229.32 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5,6,7,8,9,10-hexahydrocyclohepta[b]indole is sourced from PubChem (CID 107958588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).