4-methoxy-5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole

C14H19NO — CID 84683089

IUPAC4-methoxy-5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole
SMILESCOc1cccc2c1NC1CCCCCC21
InChIInChI=1S/C14H19NO/c1-16-13-9-5-7-11-10-6-3-2-4-8-12(10)15-14(11)13/h5,7,9-10,12,15H,2-4,6,8H2,1H3
InChIKeyDPLVRSFCOBMBAI-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.54
Rot. Bonds1

About 4-methoxy-5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole

4-methoxy-5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole (PubChem CID 84683089) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-methoxy-5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole.

Molecular Properties

Compound Name4-methoxy-5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole
PubChem CID84683089
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-methoxy-5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole
SMILESCOc1cccc2c1NC1CCCCCC21
InChIInChI=1S/C14H19NO/c1-16-13-9-5-7-11-10-6-3-2-4-8-12(10)15-14(11)13/h5,7,9-10,12,15H,2-4,6,8H2,1H3
InChIKeyDPLVRSFCOBMBAI-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 84694597
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(4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole
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CID 100810110
1-cyclopropyl-2,3-dimethoxybenzene
CID 22923325
2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 116811017
1-cyclopropyl-2-methoxybenzene;ethane
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2-(2-fluoro-3-methoxyphenyl)cyclopentan-1-ol
CID 82812195
(1Z)-3-(2-methoxyphenyl)cyclooctene
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CID 130114065
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CID 105493234

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole?
The IUPAC name of 4-methoxy-5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole (CID 84683089) is 4-methoxy-5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole.
What is the SMILES notation for 4-methoxy-5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole?
The canonical SMILES for 4-methoxy-5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole is COc1cccc2c1NC1CCCCCC21.
What is the InChIKey of 4-methoxy-5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole?
The InChIKey is DPLVRSFCOBMBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-16-13-9-5-7-11-10-6-3-2-4-8-12(10)15-14(11)13/h5,7,9-10,12,15H,2-4,6,8H2,1H3.
What are the key properties of 4-methoxy-5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole?
4-methoxy-5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole has a molecular weight of 217.31 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole is sourced from PubChem (CID 84683089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).