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

C14H13NO — CID 145135593

IUPAC3-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine
SMILESCc1cnc2c(c1)CCc1ccccc1O2
InChIInChI=1S/C14H13NO/c1-10-8-12-7-6-11-4-2-3-5-13(11)16-14(12)15-9-10/h2-5,8-9H,6-7H2,1H3
InChIKeyFGOTZNFPCGSNHX-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.28
Rot. Bonds

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

3-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine (PubChem CID 145135593) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine.

Molecular Properties

Compound Name3-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine
PubChem CID145135593
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name3-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine
SMILESCc1cnc2c(c1)CCc1ccccc1O2
InChIInChI=1S/C14H13NO/c1-10-8-12-7-6-11-4-2-3-5-13(11)16-14(12)15-9-10/h2-5,8-9H,6-7H2,1H3
InChIKeyFGOTZNFPCGSNHX-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
3-methyl-5,6-dihydrobenzo[h]quinoline
CID 59294831
2-tert-butyl-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine
CID 134215019
12-methyl-2-oxa-6,7,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),3,5,11,13-pentaene
CID 145135670
3-propyl-5H-chromeno[2,3-b]pyridine
CID 167276732
3-ethyl-5,6-dihydro-[1]benzoxepino[2,3-c]pyridine
CID 122491961
(2E)-2-ethylidene-3,4-dihydrochromene
CID 145341121
ethane;6-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 144996832
7-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine
CID 159917692
5-methyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridin-3-amine
CID 66279774
5H-[1,5]benzodioxepino[4,3-b]pyridine;methanamine
CID 165410431

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine?
The IUPAC name of 3-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine (CID 145135593) is 3-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine.
What is the SMILES notation for 3-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine?
The canonical SMILES for 3-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine is Cc1cnc2c(c1)CCc1ccccc1O2.
What is the InChIKey of 3-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine?
The InChIKey is FGOTZNFPCGSNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-10-8-12-7-6-11-4-2-3-5-13(11)16-14(12)15-9-10/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 3-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine?
3-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 3-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine is sourced from PubChem (CID 145135593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).