6,7-bis[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1,4-oxazepine

C11H17NO — CID 145240100

IUPAC6,7-bis[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1,4-oxazepine
SMILESC/C=C\C1=C(/C=C\C)OCCNC1
InChIInChI=1S/C11H17NO/c1-3-5-10-9-12-7-8-13-11(10)6-4-2/h3-6,12H,7-9H2,1-2H3/b5-3-,6-4-
InChIKeySWNBFPAAVWHDNV-GLIMQPGKSA-N
MW179.26 g/mol
LogP2.01
Rot. Bonds2

About 6,7-bis[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1,4-oxazepine

6,7-bis[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1,4-oxazepine (PubChem CID 145240100) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 6,7-bis[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1,4-oxazepine.

Molecular Properties

Compound Name6,7-bis[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1,4-oxazepine
PubChem CID145240100
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name6,7-bis[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1,4-oxazepine
SMILESC/C=C\C1=C(/C=C\C)OCCNC1
InChIInChI=1S/C11H17NO/c1-3-5-10-9-12-7-8-13-11(10)6-4-2/h3-6,12H,7-9H2,1-2H3/b5-3-,6-4-
InChIKeySWNBFPAAVWHDNV-GLIMQPGKSA-N
XLogP2.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,7-bis[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1,4-oxazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrano[2,3-c]-pyrrolidine
CID 129872389
11-Fluoro-3,3-dimethyl-2-oxa-5-azabicyclo[5.4.1]dodeca-7(12),8,10-triene
CID 134601219
2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine
CID 156867916
N-[(2,6-dimethoxybenzene-4-id-1-yl)methyl]-2-(2-propoxyethoxy)ethanamine;tungsten
CID 57846858
3,4,5,7-tetrahydro-2H-1,4-benzoxazepin-7-ide;yttrium
CID 59586494
5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 70330097
6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine
CID 87096481
(2E,4Z)-N-[2-[(2E,4Z)-1-methoxyhepta-2,4,6-trien-2-yl]oxyethyl]octa-2,4-dien-1-amine
CID 88313578
(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 88576747
3-[(2Z,4E)-3-methylhepta-2,4-dien-4-yl]oxyazetidine
CID 88614288
(2R,3E,5E)-3-ethenyl-5-methoxy-N-(2-propoxybutyl)hepta-3,5-dien-2-amine
CID 88931434
6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 89334732

Frequently Asked Questions

What is the IUPAC name of 6,7-bis[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1,4-oxazepine?
The IUPAC name of 6,7-bis[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1,4-oxazepine (CID 145240100) is 6,7-bis[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1,4-oxazepine.
What is the SMILES notation for 6,7-bis[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1,4-oxazepine?
The canonical SMILES for 6,7-bis[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1,4-oxazepine is C/C=C\C1=C(/C=C\C)OCCNC1.
What is the InChIKey of 6,7-bis[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1,4-oxazepine?
The InChIKey is SWNBFPAAVWHDNV-GLIMQPGKSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-5-10-9-12-7-8-13-11(10)6-4-2/h3-6,12H,7-9H2,1-2H3/b5-3-,6-4-.
What are the key properties of 6,7-bis[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1,4-oxazepine?
6,7-bis[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1,4-oxazepine has a molecular weight of 179.26 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1,4-oxazepine is sourced from PubChem (CID 145240100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).