methyl N-methylidene-N'-prop-1-en-2-ylcarbamimidate

C6H10N2O — CID 144746644

IUPACmethyl N-methylidene-N'-prop-1-en-2-ylcarbamimidate
SMILESC=N/C(=N/C(=C)C)OC
InChIInChI=1S/C6H10N2O/c1-5(2)8-6(7-3)9-4/h1,3H2,2,4H3/b8-6-
InChIKeyPUOXXAJNCXSKGW-VURMDHGXSA-N
MW126.16 g/mol
LogP1.22
Rot. Bonds1

About methyl N-methylidene-N'-prop-1-en-2-ylcarbamimidate

methyl N-methylidene-N'-prop-1-en-2-ylcarbamimidate (PubChem CID 144746644) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is methyl N-methylidene-N'-prop-1-en-2-ylcarbamimidate.

Molecular Properties

Compound Namemethyl N-methylidene-N'-prop-1-en-2-ylcarbamimidate
PubChem CID144746644
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Namemethyl N-methylidene-N'-prop-1-en-2-ylcarbamimidate
SMILESC=N/C(=N/C(=C)C)OC
InChIInChI=1S/C6H10N2O/c1-5(2)8-6(7-3)9-4/h1,3H2,2,4H3/b8-6-
InChIKeyPUOXXAJNCXSKGW-VURMDHGXSA-N
XLogP1.22
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.22
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

methyl N-prop-1-en-2-ylmethanimidate
CID 123155048
N-methylidene-N'-prop-1-en-2-ylmethanimidamide
CID 123870894
ethane;N-methylidene-N'-prop-1-en-2-ylmethanimidamide
CID 143495855
methyl (NZ)-N-ethylidene-N'-prop-1-en-2-ylcarbamimidate
CID 143594326
ethane;methyl N-prop-1-en-2-ylmethanimidate
CID 145045468
N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide
CID 163422703
ethane;methyl N-methylidene-N'-prop-1-en-2-ylcarbamimidate
CID 168200193

Frequently Asked Questions

What is the IUPAC name of methyl N-methylidene-N'-prop-1-en-2-ylcarbamimidate?
The IUPAC name of methyl N-methylidene-N'-prop-1-en-2-ylcarbamimidate (CID 144746644) is methyl N-methylidene-N'-prop-1-en-2-ylcarbamimidate.
What is the SMILES notation for methyl N-methylidene-N'-prop-1-en-2-ylcarbamimidate?
The canonical SMILES for methyl N-methylidene-N'-prop-1-en-2-ylcarbamimidate is C=N/C(=N/C(=C)C)OC.
What is the InChIKey of methyl N-methylidene-N'-prop-1-en-2-ylcarbamimidate?
The InChIKey is PUOXXAJNCXSKGW-VURMDHGXSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5(2)8-6(7-3)9-4/h1,3H2,2,4H3/b8-6-.
What are the key properties of methyl N-methylidene-N'-prop-1-en-2-ylcarbamimidate?
methyl N-methylidene-N'-prop-1-en-2-ylcarbamimidate has a molecular weight of 126.16 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methylidene-N'-prop-1-en-2-ylcarbamimidate is sourced from PubChem (CID 144746644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).