cis-(1S,2S)-N-(C-ethenyl-N-propan-2-ylcarbonimidoyl)-2-fluorocyclopropane-1-carboxamide

C10H15FN2O — CID 167023175

IUPACcis-(1S,2S)-N-(C-ethenyl-N-propan-2-ylcarbonimidoyl)-2-fluorocyclopropane-1-carboxamide
SMILESC=C/C(=N\C(C)C)NC(=O)[C@@H]1C[C@@H]1F
InChIInChI=1S/C10H15FN2O/c1-4-9(12-6(2)3)13-10(14)7-5-8(7)11/h4,6-8H,1,5H2,2-3H3,(H,12,13,14)/t7-,8+/m1/s1
InChIKeyNGVQJFYGBXCSMR-SFYZADRCSA-N
MW198.24 g/mol
LogP1.45
Rot. Bonds3

About cis-(1S,2S)-N-(C-ethenyl-N-propan-2-ylcarbonimidoyl)-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-(C-ethenyl-N-propan-2-ylcarbonimidoyl)-2-fluorocyclopropane-1-carboxamide (PubChem CID 167023175) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is cis-(1S,2S)-N-(C-ethenyl-N-propan-2-ylcarbonimidoyl)-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-(C-ethenyl-N-propan-2-ylcarbonimidoyl)-2-fluorocyclopropane-1-carboxamide
PubChem CID167023175
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Namecis-(1S,2S)-N-(C-ethenyl-N-propan-2-ylcarbonimidoyl)-2-fluorocyclopropane-1-carboxamide
SMILESC=C/C(=N\C(C)C)NC(=O)[C@@H]1C[C@@H]1F
InChIInChI=1S/C10H15FN2O/c1-4-9(12-6(2)3)13-10(14)7-5-8(7)11/h4,6-8H,1,5H2,2-3H3,(H,12,13,14)/t7-,8+/m1/s1
InChIKeyNGVQJFYGBXCSMR-SFYZADRCSA-N
XLogP1.45
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.45
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

cis-(1R,2R)-2-fluoro-N-methylcyclopropane-1-carboxamide
CID 118178176
ethyl 2-(C-ethenyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxylate
CID 166678314
(1R)-2-fluorocyclopropane-1-carboxylic acid
CID 126485045
prop-2-enyl N-(N'-propan-2-ylcarbamimidoyl)carbamate
CID 154984724
N-hydroxy-2-oxo-N'-propan-2-ylethanimidamide
CID 175150616
cis-(1R,2R)-N-[2,5-dimethyl-3-(methylamino)phenyl]-2-fluorocyclopropane-1-carboxamide
CID 135293118
[(1R,2S)-2-(2-methylpropanoyl)cyclopropyl] formate
CID 88572391
methyl 2,3-difluorocyclobutane-1-carboxylate
CID 175603308
cis-(1R,2R)-2-fluorocyclopropane-1-carboxamide
CID 119095885
2-fluorocyclopropane-1-carbonyl iodide
CID 118532290
sodium cis-(1S,2S)-2-fluorocyclopropane-1-carboxylate
CID 67083304
cis-(1S,2S)-2-fluoro-N-[2-fluoro-5-[(prop-2-enoylamino)methyl]phenyl]cyclopropane-1-carboxamide
CID 167991621

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-(C-ethenyl-N-propan-2-ylcarbonimidoyl)-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-(C-ethenyl-N-propan-2-ylcarbonimidoyl)-2-fluorocyclopropane-1-carboxamide (CID 167023175) is cis-(1S,2S)-N-(C-ethenyl-N-propan-2-ylcarbonimidoyl)-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-(C-ethenyl-N-propan-2-ylcarbonimidoyl)-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-(C-ethenyl-N-propan-2-ylcarbonimidoyl)-2-fluorocyclopropane-1-carboxamide is C=C/C(=N\C(C)C)NC(=O)[C@@H]1C[C@@H]1F.
What is the InChIKey of cis-(1S,2S)-N-(C-ethenyl-N-propan-2-ylcarbonimidoyl)-2-fluorocyclopropane-1-carboxamide?
The InChIKey is NGVQJFYGBXCSMR-SFYZADRCSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-4-9(12-6(2)3)13-10(14)7-5-8(7)11/h4,6-8H,1,5H2,2-3H3,(H,12,13,14)/t7-,8+/m1/s1.
What are the key properties of cis-(1S,2S)-N-(C-ethenyl-N-propan-2-ylcarbonimidoyl)-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-(C-ethenyl-N-propan-2-ylcarbonimidoyl)-2-fluorocyclopropane-1-carboxamide has a molecular weight of 198.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-(C-ethenyl-N-propan-2-ylcarbonimidoyl)-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 167023175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).