ethane;methyl N-pent-1-en-2-ylmethanimidate

C9H19NO — CID 142062969

IUPACethane;methyl N-pent-1-en-2-ylmethanimidate
SMILESC=C(CCC)/N=C/OC.CC
InChIInChI=1S/C7H13NO.C2H6/c1-4-5-7(2)8-6-9-3;1-2/h6H,2,4-5H2,1,3H3;1-2H3/b8-6+;
InChIKeyXDFXJBCTCNGEQW-WVLIHFOGSA-N
MW157.26 g/mol
LogP3.00
Rot. Bonds4

About ethane;methyl N-pent-1-en-2-ylmethanimidate

ethane;methyl N-pent-1-en-2-ylmethanimidate (PubChem CID 142062969) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is ethane;methyl N-pent-1-en-2-ylmethanimidate.

Molecular Properties

Compound Nameethane;methyl N-pent-1-en-2-ylmethanimidate
PubChem CID142062969
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Nameethane;methyl N-pent-1-en-2-ylmethanimidate
SMILESC=C(CCC)/N=C/OC.CC
InChIInChI=1S/C7H13NO.C2H6/c1-4-5-7(2)8-6-9-3;1-2/h6H,2,4-5H2,1,3H3;1-2H3/b8-6+;
InChIKeyXDFXJBCTCNGEQW-WVLIHFOGSA-N
XLogP3.00
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze ethane;methyl N-pent-1-en-2-ylmethanimidate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;methyl N-pent-1-en-2-ylmethanimidate?
The IUPAC name of ethane;methyl N-pent-1-en-2-ylmethanimidate (CID 142062969) is ethane;methyl N-pent-1-en-2-ylmethanimidate.
What is the SMILES notation for ethane;methyl N-pent-1-en-2-ylmethanimidate?
The canonical SMILES for ethane;methyl N-pent-1-en-2-ylmethanimidate is C=C(CCC)/N=C/OC.CC.
What is the InChIKey of ethane;methyl N-pent-1-en-2-ylmethanimidate?
The InChIKey is XDFXJBCTCNGEQW-WVLIHFOGSA-N. The full InChI is InChI=1S/C7H13NO.C2H6/c1-4-5-7(2)8-6-9-3;1-2/h6H,2,4-5H2,1,3H3;1-2H3/b8-6+;.
What are the key properties of ethane;methyl N-pent-1-en-2-ylmethanimidate?
ethane;methyl N-pent-1-en-2-ylmethanimidate has a molecular weight of 157.26 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl N-pent-1-en-2-ylmethanimidate is sourced from PubChem (CID 142062969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).