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

C11H17NO — CID 144696065

IUPAC7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine
SMILESC=CC1=C(/C=C\C)CN(C)CCO1
InChIInChI=1S/C11H17NO/c1-4-6-10-9-12(3)7-8-13-11(10)5-2/h4-6H,2,7-9H2,1,3H3/b6-4-
InChIKeyDDLANPDEUNSUFC-XQRVVYSFSA-N
MW179.26 g/mol
LogP1.96
Rot. Bonds2

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

7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine (PubChem CID 144696065) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine.

Molecular Properties

Compound Name7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine
PubChem CID144696065
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine
SMILESC=CC1=C(/C=C\C)CN(C)CCO1
InChIInChI=1S/C11H17NO/c1-4-6-10-9-12(3)7-8-13-11(10)5-2/h4-6H,2,7-9H2,1,3H3/b6-4-
InChIKeyDDLANPDEUNSUFC-XQRVVYSFSA-N
XLogP1.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine?
The IUPAC name of 7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine (CID 144696065) is 7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine.
What is the SMILES notation for 7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine?
The canonical SMILES for 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.
What is the InChIKey of 7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine?
The InChIKey is DDLANPDEUNSUFC-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-6-10-9-12(3)7-8-13-11(10)5-2/h4-6H,2,7-9H2,1,3H3/b6-4-.
What are the key properties of 7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine?
7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine has a molecular weight of 179.26 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine is sourced from PubChem (CID 144696065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).