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

C7H15NO — CID 145045468

IUPACethane;methyl N-prop-1-en-2-ylmethanimidate
SMILESC=C(C)/N=C/OC.CC
InChIInChI=1S/C5H9NO.C2H6/c1-5(2)6-4-7-3;1-2/h4H,1H2,2-3H3;1-2H3/b6-4+;
InChIKeyQLNPCMYCUWXRLV-CVDVRWGVSA-N
MW129.20 g/mol
LogP2.22
Rot. Bonds2

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

ethane;methyl N-prop-1-en-2-ylmethanimidate (PubChem CID 145045468) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is ethane;methyl N-prop-1-en-2-ylmethanimidate.

Molecular Properties

Compound Nameethane;methyl N-prop-1-en-2-ylmethanimidate
PubChem CID145045468
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Nameethane;methyl N-prop-1-en-2-ylmethanimidate
SMILESC=C(C)/N=C/OC.CC
InChIInChI=1S/C5H9NO.C2H6/c1-5(2)6-4-7-3;1-2/h4H,1H2,2-3H3;1-2H3/b6-4+;
InChIKeyQLNPCMYCUWXRLV-CVDVRWGVSA-N
XLogP2.22
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 52.22
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'}

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Related Compounds

ethyl N-prop-1-en-2-ylmethanimidate
CID 13678294
N-(1-propoxyprop-1-en-2-yl)methanimine
CID 90904514
methyl N-prop-1-en-2-ylmethanimidate
CID 123155048
amino N-prop-1-en-2-ylmethanimidate
CID 138459555
methyl N-pent-1-en-2-ylmethanimidate
CID 142062970
methyl N-buta-1,3-dien-2-ylmethanimidate
CID 142084338
N-[(Z)-1-methoxyprop-1-en-2-yl]methanimine
CID 142116090
ethane;N-prop-1-en-2-ylmethanimine
CID 143922364
methyl N-methylidene-N'-prop-1-en-2-ylcarbamimidate
CID 144746644
methyl N-[(2Z)-penta-2,4-dien-2-yl]methanimidate
CID 163838619
CID 168893422
CID 168893422
methyl N-(3-methylbut-1-en-2-yl)methanimidate
CID 172356683

Frequently Asked Questions

What is the IUPAC name of ethane;methyl N-prop-1-en-2-ylmethanimidate?
The IUPAC name of ethane;methyl N-prop-1-en-2-ylmethanimidate (CID 145045468) is ethane;methyl N-prop-1-en-2-ylmethanimidate.
What is the SMILES notation for ethane;methyl N-prop-1-en-2-ylmethanimidate?
The canonical SMILES for ethane;methyl N-prop-1-en-2-ylmethanimidate is C=C(C)/N=C/OC.CC.
What is the InChIKey of ethane;methyl N-prop-1-en-2-ylmethanimidate?
The InChIKey is QLNPCMYCUWXRLV-CVDVRWGVSA-N. The full InChI is InChI=1S/C5H9NO.C2H6/c1-5(2)6-4-7-3;1-2/h4H,1H2,2-3H3;1-2H3/b6-4+;.
What are the key properties of ethane;methyl N-prop-1-en-2-ylmethanimidate?
ethane;methyl N-prop-1-en-2-ylmethanimidate has a molecular weight of 129.20 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl N-prop-1-en-2-ylmethanimidate is sourced from PubChem (CID 145045468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).