methyl (2R)-3-[(Z)-hept-1-enyl]-2H-azirine-2-carboxylate

C11H17NO2 — CID 46844312

IUPACmethyl (2R)-3-[(Z)-hept-1-enyl]-2H-azirine-2-carboxylate
SMILESCCCCC/C=C\C1=N[C@H]1C(=O)OC
InChIInChI=1S/C11H17NO2/c1-3-4-5-6-7-8-9-10(12-9)11(13)14-2/h7-8,10H,3-6H2,1-2H3/b8-7-/t10-/m1/s1
InChIKeyRWDQVIKEEWJCCM-GQYWMQPJSA-N
MW195.26 g/mol
LogP2.12
Rot. Bonds6

About methyl (2R)-3-[(Z)-hept-1-enyl]-2H-azirine-2-carboxylate

methyl (2R)-3-[(Z)-hept-1-enyl]-2H-azirine-2-carboxylate (PubChem CID 46844312) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is methyl (2R)-3-[(Z)-hept-1-enyl]-2H-azirine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-3-[(Z)-hept-1-enyl]-2H-azirine-2-carboxylate
PubChem CID46844312
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namemethyl (2R)-3-[(Z)-hept-1-enyl]-2H-azirine-2-carboxylate
SMILESCCCCC/C=C\C1=N[C@H]1C(=O)OC
InChIInChI=1S/C11H17NO2/c1-3-4-5-6-7-8-9-10(12-9)11(13)14-2/h7-8,10H,3-6H2,1-2H3/b8-7-/t10-/m1/s1
InChIKeyRWDQVIKEEWJCCM-GQYWMQPJSA-N
XLogP2.12
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl (2R)-3-[(Z)-hept-1-enyl]-2H-azirine-2-carboxylate 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

methyl (2R)-3-[(E)-pentadec-1-enyl]-2H-azirine-2-carboxylate
CID 10244717
methyl 3-[(E)-pentadec-1-enyl]-2H-azirine-2-carboxylate
CID 5386785
methyl (Z)-undec-5-enoate
CID 11469683
methyl (Z)-dotriacont-15-enoate
CID 100966062
methyl octadec-7-enoate
CID 543314
methyl (Z)-octadec-12-enoate
CID 12963317
methyl dodec-5-enoate
CID 86010951
methyl (Z)-octadec-9-enoate
CID 5364509
methyl (Z)-hexadec-3-enoate
CID 91746830
methyl (E)-octadec-7-enoate
CID 5364440
methyl tridec-3-enoate
CID 72597559
methyl (E)-octadec-12-enoate
CID 5364503

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-[(Z)-hept-1-enyl]-2H-azirine-2-carboxylate?
The IUPAC name of methyl (2R)-3-[(Z)-hept-1-enyl]-2H-azirine-2-carboxylate (CID 46844312) is methyl (2R)-3-[(Z)-hept-1-enyl]-2H-azirine-2-carboxylate.
What is the SMILES notation for methyl (2R)-3-[(Z)-hept-1-enyl]-2H-azirine-2-carboxylate?
The canonical SMILES for methyl (2R)-3-[(Z)-hept-1-enyl]-2H-azirine-2-carboxylate is CCCCC/C=C\C1=N[C@H]1C(=O)OC.
What is the InChIKey of methyl (2R)-3-[(Z)-hept-1-enyl]-2H-azirine-2-carboxylate?
The InChIKey is RWDQVIKEEWJCCM-GQYWMQPJSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-4-5-6-7-8-9-10(12-9)11(13)14-2/h7-8,10H,3-6H2,1-2H3/b8-7-/t10-/m1/s1.
What are the key properties of methyl (2R)-3-[(Z)-hept-1-enyl]-2H-azirine-2-carboxylate?
methyl (2R)-3-[(Z)-hept-1-enyl]-2H-azirine-2-carboxylate has a molecular weight of 195.26 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-[(Z)-hept-1-enyl]-2H-azirine-2-carboxylate is sourced from PubChem (CID 46844312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).