methyl N-but-3-en-2-ylidenecarbamimidate

C6H10N2O — CID 123463086

IUPACmethyl N-but-3-en-2-ylidenecarbamimidate
SMILES[H]/N=C(/N=C(C)C=C)OC
InChIInChI=1S/C6H10N2O/c1-4-5(2)8-6(7)9-3/h4,7H,1H2,2-3H3/b7-6-,8-5?
InChIKeyFJVRJPIBEXECNR-NOOPGXFHSA-N
MW126.16 g/mol
LogP1.21
Rot. Bonds1

About methyl N-but-3-en-2-ylidenecarbamimidate

methyl N-but-3-en-2-ylidenecarbamimidate (PubChem CID 123463086) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is methyl N-but-3-en-2-ylidenecarbamimidate.

Molecular Properties

Compound Namemethyl N-but-3-en-2-ylidenecarbamimidate
PubChem CID123463086
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Namemethyl N-but-3-en-2-ylidenecarbamimidate
SMILES[H]/N=C(/N=C(C)C=C)OC
InChIInChI=1S/C6H10N2O/c1-4-5(2)8-6(7)9-3/h4,7H,1H2,2-3H3/b7-6-,8-5?
InChIKeyFJVRJPIBEXECNR-NOOPGXFHSA-N
XLogP1.21
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.21
H-Bond Donors ≤ 51
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-(2-fluoropent-1-en-3-ylidene)carbamimidate
CID 174085611
methyl N-(3-fluorobut-3-en-2-ylidene)carbamimidate
CID 174085643
N-[(E)-4-methoxybut-3-en-2-ylidene]methanimidamide
CID 118972807
1-But-3-en-2-ylideneguanidine
CID 123765646
N-but-3-en-2-ylideneethanimidamide
CID 143838508
ethane;methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate
CID 177189918
methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate
CID 177189919

Frequently Asked Questions

What is the IUPAC name of methyl N-but-3-en-2-ylidenecarbamimidate?
The IUPAC name of methyl N-but-3-en-2-ylidenecarbamimidate (CID 123463086) is methyl N-but-3-en-2-ylidenecarbamimidate.
What is the SMILES notation for methyl N-but-3-en-2-ylidenecarbamimidate?
The canonical SMILES for methyl N-but-3-en-2-ylidenecarbamimidate is [H]/N=C(/N=C(C)C=C)OC.
What is the InChIKey of methyl N-but-3-en-2-ylidenecarbamimidate?
The InChIKey is FJVRJPIBEXECNR-NOOPGXFHSA-N. The full InChI is InChI=1S/C6H10N2O/c1-4-5(2)8-6(7)9-3/h4,7H,1H2,2-3H3/b7-6-,8-5?.
What are the key properties of methyl N-but-3-en-2-ylidenecarbamimidate?
methyl N-but-3-en-2-ylidenecarbamimidate has a molecular weight of 126.16 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-but-3-en-2-ylidenecarbamimidate is sourced from PubChem (CID 123463086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).