cis-(1R,2S)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxamide

C7H11NO — CID 55283762

IUPACcis-(1R,2S)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxamide
SMILESC/C=C/[C@@H]1C[C@H]1C(N)=O
InChIInChI=1S/C7H11NO/c1-2-3-5-4-6(5)7(8)9/h2-3,5-6H,4H2,1H3,(H2,8,9)/b3-2+/t5-,6-/m1/s1
InChIKeyDHDVZWGFKMGORI-SRGUAZEISA-N
MW125.17 g/mol
LogP0.68
Rot. Bonds2

About cis-(1R,2S)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxamide (PubChem CID 55283762) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxamide
PubChem CID55283762
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Namecis-(1R,2S)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxamide
SMILESC/C=C/[C@@H]1C[C@H]1C(N)=O
InChIInChI=1S/C7H11NO/c1-2-3-5-4-6(5)7(8)9/h2-3,5-6H,4H2,1H3,(H2,8,9)/b3-2+/t5-,6-/m1/s1
InChIKeyDHDVZWGFKMGORI-SRGUAZEISA-N
XLogP0.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxamide (CID 55283762) is cis-(1R,2S)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxamide is C/C=C/[C@@H]1C[C@H]1C(N)=O.
What is the InChIKey of cis-(1R,2S)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxamide?
The InChIKey is DHDVZWGFKMGORI-SRGUAZEISA-N. The full InChI is InChI=1S/C7H11NO/c1-2-3-5-4-6(5)7(8)9/h2-3,5-6H,4H2,1H3,(H2,8,9)/b3-2+/t5-,6-/m1/s1.
What are the key properties of cis-(1R,2S)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxamide has a molecular weight of 125.17 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55283762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).