N-[2-ethyl-3-(methylaminomethyl)cyclopropyl]prop-2-enamide

C10H18N2O — CID 155353484

IUPACN-[2-ethyl-3-(methylaminomethyl)cyclopropyl]prop-2-enamide
SMILESC=CC(=O)NC1C(CC)C1CNC
InChIInChI=1S/C10H18N2O/c1-4-7-8(6-11-3)10(7)12-9(13)5-2/h5,7-8,10-11H,2,4,6H2,1,3H3,(H,12,13)
InChIKeyYSDDXWMBDXOPKV-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.53
Rot. Bonds5

About N-[2-ethyl-3-(methylaminomethyl)cyclopropyl]prop-2-enamide

N-[2-ethyl-3-(methylaminomethyl)cyclopropyl]prop-2-enamide (PubChem CID 155353484) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[2-ethyl-3-(methylaminomethyl)cyclopropyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-ethyl-3-(methylaminomethyl)cyclopropyl]prop-2-enamide
PubChem CID155353484
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[2-ethyl-3-(methylaminomethyl)cyclopropyl]prop-2-enamide
SMILESC=CC(=O)NC1C(CC)C1CNC
InChIInChI=1S/C10H18N2O/c1-4-7-8(6-11-3)10(7)12-9(13)5-2/h5,7-8,10-11H,2,4,6H2,1,3H3,(H,12,13)
InChIKeyYSDDXWMBDXOPKV-UHFFFAOYSA-N
XLogP0.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-3-(methylaminomethyl)cyclopropyl]prop-2-enamide?
The IUPAC name of N-[2-ethyl-3-(methylaminomethyl)cyclopropyl]prop-2-enamide (CID 155353484) is N-[2-ethyl-3-(methylaminomethyl)cyclopropyl]prop-2-enamide.
What is the SMILES notation for N-[2-ethyl-3-(methylaminomethyl)cyclopropyl]prop-2-enamide?
The canonical SMILES for N-[2-ethyl-3-(methylaminomethyl)cyclopropyl]prop-2-enamide is C=CC(=O)NC1C(CC)C1CNC.
What is the InChIKey of N-[2-ethyl-3-(methylaminomethyl)cyclopropyl]prop-2-enamide?
The InChIKey is YSDDXWMBDXOPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-7-8(6-11-3)10(7)12-9(13)5-2/h5,7-8,10-11H,2,4,6H2,1,3H3,(H,12,13).
What are the key properties of N-[2-ethyl-3-(methylaminomethyl)cyclopropyl]prop-2-enamide?
N-[2-ethyl-3-(methylaminomethyl)cyclopropyl]prop-2-enamide has a molecular weight of 182.27 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-3-(methylaminomethyl)cyclopropyl]prop-2-enamide is sourced from PubChem (CID 155353484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).