2-(1-cyclopropylethylamino)-N-prop-2-enylpropanamide

C11H20N2O — CID 43401276

IUPAC2-(1-cyclopropylethylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NC(C)C1CC1
InChIInChI=1S/C11H20N2O/c1-4-7-12-11(14)9(3)13-8(2)10-5-6-10/h4,8-10,13H,1,5-7H2,2-3H3,(H,12,14)
InChIKeyZBKVIYMPUJCFKH-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.07
Rot. Bonds6

About 2-(1-cyclopropylethylamino)-N-prop-2-enylpropanamide

2-(1-cyclopropylethylamino)-N-prop-2-enylpropanamide (PubChem CID 43401276) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(1-cyclopropylethylamino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(1-cyclopropylethylamino)-N-prop-2-enylpropanamide
PubChem CID43401276
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(1-cyclopropylethylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NC(C)C1CC1
InChIInChI=1S/C11H20N2O/c1-4-7-12-11(14)9(3)13-8(2)10-5-6-10/h4,8-10,13H,1,5-7H2,2-3H3,(H,12,14)
InChIKeyZBKVIYMPUJCFKH-UHFFFAOYSA-N
XLogP1.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.07
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 2-(1-cyclopropylethylamino)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(1-cyclopropylethylamino)-N-prop-2-enylpropanamide (CID 43401276) is 2-(1-cyclopropylethylamino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(1-cyclopropylethylamino)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(1-cyclopropylethylamino)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NC(C)C1CC1.
What is the InChIKey of 2-(1-cyclopropylethylamino)-N-prop-2-enylpropanamide?
The InChIKey is ZBKVIYMPUJCFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-7-12-11(14)9(3)13-8(2)10-5-6-10/h4,8-10,13H,1,5-7H2,2-3H3,(H,12,14).
What are the key properties of 2-(1-cyclopropylethylamino)-N-prop-2-enylpropanamide?
2-(1-cyclopropylethylamino)-N-prop-2-enylpropanamide has a molecular weight of 196.29 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylethylamino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 43401276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).