(Z)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide

C10H18N2O2 — CID 10219826

IUPAC(Z)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide
SMILESCC/C=C(/CCC)C(=O)NCC(N)=O
InChIInChI=1S/C10H18N2O2/c1-3-5-8(6-4-2)10(14)12-7-9(11)13/h5H,3-4,6-7H2,1-2H3,(H2,11,13)(H,12,14)/b8-5-
InChIKeyOKTDCQVWKNPNEU-YVMONPNESA-N
MW198.27 g/mol
LogP0.72
Rot. Bonds6

About (Z)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide

(Z)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide (PubChem CID 10219826) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (Z)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide
PubChem CID10219826
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(Z)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide
SMILESCC/C=C(/CCC)C(=O)NCC(N)=O
InChIInChI=1S/C10H18N2O2/c1-3-5-8(6-4-2)10(14)12-7-9(11)13/h5H,3-4,6-7H2,1-2H3,(H2,11,13)(H,12,14)/b8-5-
InChIKeyOKTDCQVWKNPNEU-YVMONPNESA-N
XLogP0.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.72
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 (Z)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide?
The IUPAC name of (Z)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide (CID 10219826) is (Z)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide.
What is the SMILES notation for (Z)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide?
The canonical SMILES for (Z)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide is CC/C=C(/CCC)C(=O)NCC(N)=O.
What is the InChIKey of (Z)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide?
The InChIKey is OKTDCQVWKNPNEU-YVMONPNESA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-5-8(6-4-2)10(14)12-7-9(11)13/h5H,3-4,6-7H2,1-2H3,(H2,11,13)(H,12,14)/b8-5-.
What are the key properties of (Z)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide?
(Z)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide has a molecular weight of 198.27 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide is sourced from PubChem (CID 10219826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).