2,3-bis(ethenyl)-4,5-dihydrooxepino[2,3-b]pyridine;methanamine

C14H18N2O — CID 165410288

IUPAC2,3-bis(ethenyl)-4,5-dihydrooxepino[2,3-b]pyridine;methanamine
SMILESC=CC1=C(C=C)Oc2ncccc2CC1.CN
InChIInChI=1S/C13H13NO.CH5N/c1-3-10-7-8-11-6-5-9-14-13(11)15-12(10)4-2;1-2/h3-6,9H,1-2,7-8H2;2H2,1H3
InChIKeyUZCDHAZOJBUWDN-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.61
Rot. Bonds2

About 2,3-bis(ethenyl)-4,5-dihydrooxepino[2,3-b]pyridine;methanamine

2,3-bis(ethenyl)-4,5-dihydrooxepino[2,3-b]pyridine;methanamine (PubChem CID 165410288) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-4,5-dihydrooxepino[2,3-b]pyridine;methanamine.

Molecular Properties

Compound Name2,3-bis(ethenyl)-4,5-dihydrooxepino[2,3-b]pyridine;methanamine
PubChem CID165410288
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2,3-bis(ethenyl)-4,5-dihydrooxepino[2,3-b]pyridine;methanamine
SMILESC=CC1=C(C=C)Oc2ncccc2CC1.CN
InChIInChI=1S/C13H13NO.CH5N/c1-3-10-7-8-11-6-5-9-14-13(11)15-12(10)4-2;1-2/h3-6,9H,1-2,7-8H2;2H2,1H3
InChIKeyUZCDHAZOJBUWDN-UHFFFAOYSA-N
XLogP2.61
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-dihydro-[1]benzoxepino[2,3-b]pyridine
CID 159917692
5H-[1,5]benzodioxepino[4,3-b]pyridine;methanamine
CID 165410431
5,6-bis(ethenyl)-7H-cyclopenta[b]pyridine;ethane
CID 145072090
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
2-ethenylpyridin-3-amine
CID 19847965
(1S)-1-(3-ethenyl-2-pyridinyl)prop-2-en-1-amine
CID 74891761
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071
ethane;5-ethenyl-7,8-dihydroquinoline
CID 177360263
1-ethenyl-2,3-dihydropyrrolo[2,3-b]pyridine
CID 156720618

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-4,5-dihydrooxepino[2,3-b]pyridine;methanamine?
The IUPAC name of 2,3-bis(ethenyl)-4,5-dihydrooxepino[2,3-b]pyridine;methanamine (CID 165410288) is 2,3-bis(ethenyl)-4,5-dihydrooxepino[2,3-b]pyridine;methanamine.
What is the SMILES notation for 2,3-bis(ethenyl)-4,5-dihydrooxepino[2,3-b]pyridine;methanamine?
The canonical SMILES for 2,3-bis(ethenyl)-4,5-dihydrooxepino[2,3-b]pyridine;methanamine is C=CC1=C(C=C)Oc2ncccc2CC1.CN.
What is the InChIKey of 2,3-bis(ethenyl)-4,5-dihydrooxepino[2,3-b]pyridine;methanamine?
The InChIKey is UZCDHAZOJBUWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO.CH5N/c1-3-10-7-8-11-6-5-9-14-13(11)15-12(10)4-2;1-2/h3-6,9H,1-2,7-8H2;2H2,1H3.
What are the key properties of 2,3-bis(ethenyl)-4,5-dihydrooxepino[2,3-b]pyridine;methanamine?
2,3-bis(ethenyl)-4,5-dihydrooxepino[2,3-b]pyridine;methanamine has a molecular weight of 230.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-4,5-dihydrooxepino[2,3-b]pyridine;methanamine is sourced from PubChem (CID 165410288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).