trans-(1R,2S)-2-ethenyl-1-formamidocyclopropane-1-carboxamide

C7H10N2O2 — CID 118457449

IUPACtrans-(1R,2S)-2-ethenyl-1-formamidocyclopropane-1-carboxamide
SMILESC=C[C@@H]1C[C@]1(NC=O)C(N)=O
InChIInChI=1S/C7H10N2O2/c1-2-5-3-7(5,6(8)11)9-4-10/h2,4-5H,1,3H2,(H2,8,11)(H,9,10)/t5-,7-/m1/s1
InChIKeyZEZCFGUQIVFLOJ-IYSWYEEDSA-N
MW154.17 g/mol
LogP-0.84
Rot. Bonds4

About trans-(1R,2S)-2-ethenyl-1-formamidocyclopropane-1-carboxamide

trans-(1R,2S)-2-ethenyl-1-formamidocyclopropane-1-carboxamide (PubChem CID 118457449) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is trans-(1R,2S)-2-ethenyl-1-formamidocyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2S)-2-ethenyl-1-formamidocyclopropane-1-carboxamide
PubChem CID118457449
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Nametrans-(1R,2S)-2-ethenyl-1-formamidocyclopropane-1-carboxamide
SMILESC=C[C@@H]1C[C@]1(NC=O)C(N)=O
InChIInChI=1S/C7H10N2O2/c1-2-5-3-7(5,6(8)11)9-4-10/h2,4-5H,1,3H2,(H2,8,11)(H,9,10)/t5-,7-/m1/s1
InChIKeyZEZCFGUQIVFLOJ-IYSWYEEDSA-N
XLogP-0.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-ethenyl-1-formamidocyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2S)-2-ethenyl-1-formamidocyclopropane-1-carboxamide (CID 118457449) is trans-(1R,2S)-2-ethenyl-1-formamidocyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2S)-2-ethenyl-1-formamidocyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2S)-2-ethenyl-1-formamidocyclopropane-1-carboxamide is C=C[C@@H]1C[C@]1(NC=O)C(N)=O.
What is the InChIKey of trans-(1R,2S)-2-ethenyl-1-formamidocyclopropane-1-carboxamide?
The InChIKey is ZEZCFGUQIVFLOJ-IYSWYEEDSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-5-3-7(5,6(8)11)9-4-10/h2,4-5H,1,3H2,(H2,8,11)(H,9,10)/t5-,7-/m1/s1.
What are the key properties of trans-(1R,2S)-2-ethenyl-1-formamidocyclopropane-1-carboxamide?
trans-(1R,2S)-2-ethenyl-1-formamidocyclopropane-1-carboxamide has a molecular weight of 154.17 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-ethenyl-1-formamidocyclopropane-1-carboxamide is sourced from PubChem (CID 118457449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).