ethane;7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine

C15H29NO — CID 144696064

IUPACethane;7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine
SMILESC=CC1=C(/C=C\C)CN(C)CCO1.CC.CC
InChIInChI=1S/C11H17NO.2C2H6/c1-4-6-10-9-12(3)7-8-13-11(10)5-2;2*1-2/h4-6H,2,7-9H2,1,3H3;2*1-2H3/b6-4-;;
InChIKeyWTFVIDAUWMEFPR-XFUGJFOESA-N
MW239.40 g/mol
LogP4.02
Rot. Bonds2

About ethane;7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine

ethane;7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine (PubChem CID 144696064) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is ethane;7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine.

Molecular Properties

Compound Nameethane;7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine
PubChem CID144696064
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Nameethane;7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine
SMILESC=CC1=C(/C=C\C)CN(C)CCO1.CC.CC
InChIInChI=1S/C11H17NO.2C2H6/c1-4-6-10-9-12(3)7-8-13-11(10)5-2;2*1-2/h4-6H,2,7-9H2,1,3H3;2*1-2H3/b6-4-;;
InChIKeyWTFVIDAUWMEFPR-XFUGJFOESA-N
XLogP4.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine with MolForge

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Related Compounds

2-cyclohexa-1,5-dien-1-yloxy-N,N-diethylethanamine
CID 20156375
1-[2-[(dimethylamino)methyl]-6-methylidenepyran-4-yl]-N,N-dimethylmethanamine
CID 20690182
(2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine
CID 54571566
(2R)-N,N-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxypropan-1-amine
CID 89134065
N-(2-ethoxyethyl)-2-ethylidene-N-methylpent-3-en-1-amine
CID 123938505
N,N-dimethyl-2-[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]oxyethanamine
CID 129059958
N,N-dimethyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine
CID 129059990
N,N-dimethyl-2-[(5R)-5-methylcyclohepta-1,3,6-trien-1-yl]oxyethanamine
CID 134534485
N-ethyl-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]-2-[(1Z)-penta-1,4-dienoxy]ethanamine
CID 138518898
(2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine
CID 138546688
4-methyl-7-prop-1-en-2-yl-3,5-dihydro-2H-1,4-oxazepine
CID 138571735
(3Z)-4-methoxy-N-methyl-2-methylidene-N-propylhexa-3,5-dien-1-amine
CID 139539796

Frequently Asked Questions

What is the IUPAC name of ethane;7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine?
The IUPAC name of ethane;7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine (CID 144696064) is ethane;7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine.
What is the SMILES notation for ethane;7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine?
The canonical SMILES for ethane;7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine is C=CC1=C(/C=C\C)CN(C)CCO1.CC.CC.
What is the InChIKey of ethane;7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine?
The InChIKey is WTFVIDAUWMEFPR-XFUGJFOESA-N. The full InChI is InChI=1S/C11H17NO.2C2H6/c1-4-6-10-9-12(3)7-8-13-11(10)5-2;2*1-2/h4-6H,2,7-9H2,1,3H3;2*1-2H3/b6-4-;;.
What are the key properties of ethane;7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine?
ethane;7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine has a molecular weight of 239.40 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine is sourced from PubChem (CID 144696064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).