N-prop-2-enyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide

C10H15F3N2O — CID 106212362

IUPACN-prop-2-enyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide
SMILESC=CCNC(=O)C(C)NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O/c1-3-6-14-8(16)7(2)15-9(4-5-9)10(11,12)13/h3,7,15H,1,4-6H2,2H3,(H,14,16)
InChIKeyDSFRDIHWCCCQAS-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.36
Rot. Bonds5

About N-prop-2-enyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide

N-prop-2-enyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide (PubChem CID 106212362) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is N-prop-2-enyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide
PubChem CID106212362
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC NameN-prop-2-enyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide
SMILESC=CCNC(=O)C(C)NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O/c1-3-6-14-8(16)7(2)15-9(4-5-9)10(11,12)13/h3,7,15H,1,4-6H2,2H3,(H,14,16)
InChIKeyDSFRDIHWCCCQAS-UHFFFAOYSA-N
XLogP1.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-prop-2-enyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide?
The IUPAC name of N-prop-2-enyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide (CID 106212362) is N-prop-2-enyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide.
What is the SMILES notation for N-prop-2-enyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide?
The canonical SMILES for N-prop-2-enyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide is C=CCNC(=O)C(C)NC1(C(F)(F)F)CC1.
What is the InChIKey of N-prop-2-enyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide?
The InChIKey is DSFRDIHWCCCQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-3-6-14-8(16)7(2)15-9(4-5-9)10(11,12)13/h3,7,15H,1,4-6H2,2H3,(H,14,16).
What are the key properties of N-prop-2-enyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide?
N-prop-2-enyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide has a molecular weight of 236.24 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide is sourced from PubChem (CID 106212362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).