4-methyl-5,6,7,8-tetrahydro-4H-furo[2,3-d]azepine

C9H13NO — CID 82417304

IUPAC4-methyl-5,6,7,8-tetrahydro-4H-furo[2,3-d]azepine
SMILESCC1CNCCc2occc21
InChIInChI=1S/C9H13NO/c1-7-6-10-4-2-9-8(7)3-5-11-9/h3,5,7,10H,2,4,6H2,1H3
InChIKeySGVPREDHCNTKBW-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.53
Rot. Bonds

About 4-methyl-5,6,7,8-tetrahydro-4H-furo[2,3-d]azepine

4-methyl-5,6,7,8-tetrahydro-4H-furo[2,3-d]azepine (PubChem CID 82417304) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-methyl-5,6,7,8-tetrahydro-4H-furo[2,3-d]azepine.

Molecular Properties

Compound Name4-methyl-5,6,7,8-tetrahydro-4H-furo[2,3-d]azepine
PubChem CID82417304
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-methyl-5,6,7,8-tetrahydro-4H-furo[2,3-d]azepine
SMILESCC1CNCCc2occc21
InChIInChI=1S/C9H13NO/c1-7-6-10-4-2-9-8(7)3-5-11-9/h3,5,7,10H,2,4,6H2,1H3
InChIKeySGVPREDHCNTKBW-UHFFFAOYSA-N
XLogP1.53
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-5,6,7,8-tetrahydro-4H-furo[2,3-d]azepine with MolForge

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Related Compounds

ethane;4-methyl-4,5,6,7-tetrahydro-1-benzofuran
CID 123540152
7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10465263
(5S)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 23652278
(5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;ethane
CID 143007161
4,7-dimethyl-4,5,6,7-tetrahydrofuro[2,3-c]pyridine
CID 13143617
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidin-3-amine
CID 79725054
(5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrate;hydrochloride
CID 11658859
(5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrate;dihydrochloride
CID 66613234
2-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-4-yl)ethanamine
CID 82414095
4-(1-methylsulfanylcyclopropyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
CID 165469842
4-(4-methylpentan-2-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
CID 165469838
4-(1-propylcyclopropyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
CID 165478167

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5,6,7,8-tetrahydro-4H-furo[2,3-d]azepine?
The IUPAC name of 4-methyl-5,6,7,8-tetrahydro-4H-furo[2,3-d]azepine (CID 82417304) is 4-methyl-5,6,7,8-tetrahydro-4H-furo[2,3-d]azepine.
What is the SMILES notation for 4-methyl-5,6,7,8-tetrahydro-4H-furo[2,3-d]azepine?
The canonical SMILES for 4-methyl-5,6,7,8-tetrahydro-4H-furo[2,3-d]azepine is CC1CNCCc2occc21.
What is the InChIKey of 4-methyl-5,6,7,8-tetrahydro-4H-furo[2,3-d]azepine?
The InChIKey is SGVPREDHCNTKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-6-10-4-2-9-8(7)3-5-11-9/h3,5,7,10H,2,4,6H2,1H3.
What are the key properties of 4-methyl-5,6,7,8-tetrahydro-4H-furo[2,3-d]azepine?
4-methyl-5,6,7,8-tetrahydro-4H-furo[2,3-d]azepine has a molecular weight of 151.21 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,6,7,8-tetrahydro-4H-furo[2,3-d]azepine is sourced from PubChem (CID 82417304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).