methyl N-(2-fluoropent-1-en-3-ylidene)carbamimidate

C7H11FN2O — CID 174085611

IUPACmethyl N-(2-fluoropent-1-en-3-ylidene)carbamimidate
SMILES[H]/N=C(/N=C(CC)C(=C)F)OC
InChIInChI=1S/C7H11FN2O/c1-4-6(5(2)8)10-7(9)11-3/h9H,2,4H2,1,3H3/b9-7-,10-6?
InChIKeyOKJFAVSYZVTLBL-BMBKGLOLSA-N
MW158.18 g/mol
LogP1.90
Rot. Bonds2

About methyl N-(2-fluoropent-1-en-3-ylidene)carbamimidate

methyl N-(2-fluoropent-1-en-3-ylidene)carbamimidate (PubChem CID 174085611) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is methyl N-(2-fluoropent-1-en-3-ylidene)carbamimidate.

Molecular Properties

Compound Namemethyl N-(2-fluoropent-1-en-3-ylidene)carbamimidate
PubChem CID174085611
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Namemethyl N-(2-fluoropent-1-en-3-ylidene)carbamimidate
SMILES[H]/N=C(/N=C(CC)C(=C)F)OC
InChIInChI=1S/C7H11FN2O/c1-4-6(5(2)8)10-7(9)11-3/h9H,2,4H2,1,3H3/b9-7-,10-6?
InChIKeyOKJFAVSYZVTLBL-BMBKGLOLSA-N
XLogP1.90
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 51.90
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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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-fluoropent-1-en-3-ylidene)carbamimidate?
The IUPAC name of methyl N-(2-fluoropent-1-en-3-ylidene)carbamimidate (CID 174085611) is methyl N-(2-fluoropent-1-en-3-ylidene)carbamimidate.
What is the SMILES notation for methyl N-(2-fluoropent-1-en-3-ylidene)carbamimidate?
The canonical SMILES for methyl N-(2-fluoropent-1-en-3-ylidene)carbamimidate is [H]/N=C(/N=C(CC)C(=C)F)OC.
What is the InChIKey of methyl N-(2-fluoropent-1-en-3-ylidene)carbamimidate?
The InChIKey is OKJFAVSYZVTLBL-BMBKGLOLSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-4-6(5(2)8)10-7(9)11-3/h9H,2,4H2,1,3H3/b9-7-,10-6?.
What are the key properties of methyl N-(2-fluoropent-1-en-3-ylidene)carbamimidate?
methyl N-(2-fluoropent-1-en-3-ylidene)carbamimidate has a molecular weight of 158.18 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-fluoropent-1-en-3-ylidene)carbamimidate is sourced from PubChem (CID 174085611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).