7-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine

C14H13NO — CID 159917692

IUPAC7-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine
SMILESCc1cccc2c1CCc1cccnc1O2
InChIInChI=1S/C14H13NO/c1-10-4-2-6-13-12(10)8-7-11-5-3-9-15-14(11)16-13/h2-6,9H,7-8H2,1H3
InChIKeyNXZNZSAKPLLDOV-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.28
Rot. Bonds

About 7-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine

7-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine (PubChem CID 159917692) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 7-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine.

Molecular Properties

Compound Name7-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine
PubChem CID159917692
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name7-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine
SMILESCc1cccc2c1CCc1cccnc1O2
InChIInChI=1S/C14H13NO/c1-10-4-2-6-13-12(10)8-7-11-5-3-9-15-14(11)16-13/h2-6,9H,7-8H2,1H3
InChIKeyNXZNZSAKPLLDOV-UHFFFAOYSA-N
XLogP3.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dihydro-[1]benzoxepino[2,3-b]pyridine
CID 145135614
5,6-dihydro-[1]benzoxepino[2,3-b]pyridine;N-methylmethanamine
CID 165410480
7-methyl-5,6-dihydrobenzo[h]quinoline
CID 126542796
5H-[1,5]benzodioxepino[4,3-b]pyridine;methanamine
CID 165410431
3-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine
CID 145135593
2,3-bis(ethenyl)-4,5-dihydrooxepino[2,3-b]pyridine;methanamine
CID 165410288
3,4-dihydro-2H-pyrano[2,3-b]pyridine;ethane
CID 90688913
2-ethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 90142368
8-methyl-3,4-dihydrochromen-2-one
CID 23513095
1,8-dimethyl-9,10-dihydrophenanthrene
CID 142741487
bis(2,3-dimethylpyridine);ethane
CID 159594018
10H-chromeno[2,3-b]pyrazine
CID 140937622

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine?
The IUPAC name of 7-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine (CID 159917692) is 7-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine.
What is the SMILES notation for 7-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine?
The canonical SMILES for 7-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine is Cc1cccc2c1CCc1cccnc1O2.
What is the InChIKey of 7-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine?
The InChIKey is NXZNZSAKPLLDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-10-4-2-6-13-12(10)8-7-11-5-3-9-15-14(11)16-13/h2-6,9H,7-8H2,1H3.
What are the key properties of 7-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine?
7-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine has a molecular weight of 211.26 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine is sourced from PubChem (CID 159917692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).