cis-(1S,2S)-2-fluoro-N-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxamide

C9H15FN2O — CID 167023174

IUPACcis-(1S,2S)-2-fluoro-N-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxamide
SMILESC/C(=N\C(C)C)NC(=O)[C@@H]1C[C@@H]1F
InChIInChI=1S/C9H15FN2O/c1-5(2)11-6(3)12-9(13)7-4-8(7)10/h5,7-8H,4H2,1-3H3,(H,11,12,13)/t7-,8+/m1/s1
InChIKeyRMPNYUVZXDBWNK-SFYZADRCSA-N
MW186.23 g/mol
LogP1.29
Rot. Bonds2

About cis-(1S,2S)-2-fluoro-N-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxamide

cis-(1S,2S)-2-fluoro-N-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxamide (PubChem CID 167023174) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-N-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxamide
PubChem CID167023174
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Namecis-(1S,2S)-2-fluoro-N-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxamide
SMILESC/C(=N\C(C)C)NC(=O)[C@@H]1C[C@@H]1F
InChIInChI=1S/C9H15FN2O/c1-5(2)11-6(3)12-9(13)7-4-8(7)10/h5,7-8H,4H2,1-3H3,(H,11,12,13)/t7-,8+/m1/s1
InChIKeyRMPNYUVZXDBWNK-SFYZADRCSA-N
XLogP1.29
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.29
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 cis-(1S,2S)-2-fluoro-N-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-fluoro-N-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxamide (CID 167023174) is cis-(1S,2S)-2-fluoro-N-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-fluoro-N-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-fluoro-N-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxamide is C/C(=N\C(C)C)NC(=O)[C@@H]1C[C@@H]1F.
What is the InChIKey of cis-(1S,2S)-2-fluoro-N-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxamide?
The InChIKey is RMPNYUVZXDBWNK-SFYZADRCSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-5(2)11-6(3)12-9(13)7-4-8(7)10/h5,7-8H,4H2,1-3H3,(H,11,12,13)/t7-,8+/m1/s1.
What are the key properties of cis-(1S,2S)-2-fluoro-N-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxamide?
cis-(1S,2S)-2-fluoro-N-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxamide has a molecular weight of 186.23 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-fluoro-N-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 167023174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).