6,9-dihydro-4H-pyrido[2,3-b]azepine

C9H10N2 — CID 143712934

IUPAC6,9-dihydro-4H-pyrido[2,3-b]azepine
SMILESC1=CNC2=NC=CCC2=CC1
InChIInChI=1S/C9H10N2/c1-2-6-10-9-8(4-1)5-3-7-11-9/h2-4,6-7H,1,5H2,(H,10,11)
InChIKeyYCYDVWYZESNAGA-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.74
Rot. Bonds

About 6,9-dihydro-4H-pyrido[2,3-b]azepine

6,9-dihydro-4H-pyrido[2,3-b]azepine (PubChem CID 143712934) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 6,9-dihydro-4H-pyrido[2,3-b]azepine.

Molecular Properties

Compound Name6,9-dihydro-4H-pyrido[2,3-b]azepine
PubChem CID143712934
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name6,9-dihydro-4H-pyrido[2,3-b]azepine
SMILESC1=CNC2=NC=CCC2=CC1
InChIInChI=1S/C9H10N2/c1-2-6-10-9-8(4-1)5-3-7-11-9/h2-4,6-7H,1,5H2,(H,10,11)
InChIKeyYCYDVWYZESNAGA-UHFFFAOYSA-N
XLogP1.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(5Z)-N-ethenyl-5-(2-methylbutylidene)-3,4-dihydro-2H-pyridin-6-amine
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2-methylidene-N-prop-1-enyl-N'-propylbutanimidamide
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(5Z)-N-ethenyl-5-ethylidene-3,4-dihydro-2H-pyridin-6-amine
CID 91246509
4-Ethyl-2-prop-1-en-2-yl-1,4-dihydropyrimidine
CID 123143968
2-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazacyclohepta-2,5,6-triene
CID 123196788
N-ethenyl-3-ethyl-6-methyl-4H-azepin-7-amine
CID 123477375
(4Z)-N-ethenyl-4-ethylidene-2,3-dihydropyrrol-5-amine
CID 123900638
N-ethenyl-5-ethyl-2,3-dihydropyridin-6-amine
CID 123914489
4-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 124190153

Frequently Asked Questions

What is the IUPAC name of 6,9-dihydro-4H-pyrido[2,3-b]azepine?
The IUPAC name of 6,9-dihydro-4H-pyrido[2,3-b]azepine (CID 143712934) is 6,9-dihydro-4H-pyrido[2,3-b]azepine.
What is the SMILES notation for 6,9-dihydro-4H-pyrido[2,3-b]azepine?
The canonical SMILES for 6,9-dihydro-4H-pyrido[2,3-b]azepine is C1=CNC2=NC=CCC2=CC1.
What is the InChIKey of 6,9-dihydro-4H-pyrido[2,3-b]azepine?
The InChIKey is YCYDVWYZESNAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-2-6-10-9-8(4-1)5-3-7-11-9/h2-4,6-7H,1,5H2,(H,10,11).
What are the key properties of 6,9-dihydro-4H-pyrido[2,3-b]azepine?
6,9-dihydro-4H-pyrido[2,3-b]azepine has a molecular weight of 146.19 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dihydro-4H-pyrido[2,3-b]azepine is sourced from PubChem (CID 143712934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).