5-[(Z)-4-methylpent-2-en-3-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene

C11H15NO — CID 89468858

IUPAC5-[(Z)-4-methylpent-2-en-3-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene
SMILESC/C=C(/C(C)C)N1CCOC2=C=C21
InChIInChI=1S/C11H15NO/c1-4-9(8(2)3)12-5-6-13-11-7-10(11)12/h4,8H,5-6H2,1-3H3/b9-4-
InChIKeySNGHLPZMTXUMSF-WTKPLQERSA-N
MW177.25 g/mol
LogP2.26
Rot. Bonds2

About 5-[(Z)-4-methylpent-2-en-3-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene

5-[(Z)-4-methylpent-2-en-3-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene (PubChem CID 89468858) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-[(Z)-4-methylpent-2-en-3-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene.

Molecular Properties

Compound Name5-[(Z)-4-methylpent-2-en-3-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene
PubChem CID89468858
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name5-[(Z)-4-methylpent-2-en-3-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene
SMILESC/C=C(/C(C)C)N1CCOC2=C=C21
InChIInChI=1S/C11H15NO/c1-4-9(8(2)3)12-5-6-13-11-7-10(11)12/h4,8H,5-6H2,1-3H3/b9-4-
InChIKeySNGHLPZMTXUMSF-WTKPLQERSA-N
XLogP2.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-4-methylpent-2-en-3-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene?
The IUPAC name of 5-[(Z)-4-methylpent-2-en-3-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene (CID 89468858) is 5-[(Z)-4-methylpent-2-en-3-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene.
What is the SMILES notation for 5-[(Z)-4-methylpent-2-en-3-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene?
The canonical SMILES for 5-[(Z)-4-methylpent-2-en-3-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene is C/C=C(/C(C)C)N1CCOC2=C=C21.
What is the InChIKey of 5-[(Z)-4-methylpent-2-en-3-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene?
The InChIKey is SNGHLPZMTXUMSF-WTKPLQERSA-N. The full InChI is InChI=1S/C11H15NO/c1-4-9(8(2)3)12-5-6-13-11-7-10(11)12/h4,8H,5-6H2,1-3H3/b9-4-.
What are the key properties of 5-[(Z)-4-methylpent-2-en-3-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene?
5-[(Z)-4-methylpent-2-en-3-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene has a molecular weight of 177.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-4-methylpent-2-en-3-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene is sourced from PubChem (CID 89468858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).