N-buta-1,3-dien-2-yl-2-(methylamino)-4-oxopentanamide

C10H16N2O2 — CID 88880435

IUPACN-buta-1,3-dien-2-yl-2-(methylamino)-4-oxopentanamide
SMILESC=CC(=C)NC(=O)C(CC(C)=O)NC
InChIInChI=1S/C10H16N2O2/c1-5-7(2)12-10(14)9(11-4)6-8(3)13/h5,9,11H,1-2,6H2,3-4H3,(H,12,14)
InChIKeyBOESBSDYSNREHQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.37
Rot. Bonds6

About N-buta-1,3-dien-2-yl-2-(methylamino)-4-oxopentanamide

N-buta-1,3-dien-2-yl-2-(methylamino)-4-oxopentanamide (PubChem CID 88880435) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-buta-1,3-dien-2-yl-2-(methylamino)-4-oxopentanamide.

Molecular Properties

Compound NameN-buta-1,3-dien-2-yl-2-(methylamino)-4-oxopentanamide
PubChem CID88880435
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-buta-1,3-dien-2-yl-2-(methylamino)-4-oxopentanamide
SMILESC=CC(=C)NC(=O)C(CC(C)=O)NC
InChIInChI=1S/C10H16N2O2/c1-5-7(2)12-10(14)9(11-4)6-8(3)13/h5,9,11H,1-2,6H2,3-4H3,(H,12,14)
InChIKeyBOESBSDYSNREHQ-UHFFFAOYSA-N
XLogP0.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-buta-1,3-dien-2-yl-2-(methylamino)-4-oxopentanamide?
The IUPAC name of N-buta-1,3-dien-2-yl-2-(methylamino)-4-oxopentanamide (CID 88880435) is N-buta-1,3-dien-2-yl-2-(methylamino)-4-oxopentanamide.
What is the SMILES notation for N-buta-1,3-dien-2-yl-2-(methylamino)-4-oxopentanamide?
The canonical SMILES for N-buta-1,3-dien-2-yl-2-(methylamino)-4-oxopentanamide is C=CC(=C)NC(=O)C(CC(C)=O)NC.
What is the InChIKey of N-buta-1,3-dien-2-yl-2-(methylamino)-4-oxopentanamide?
The InChIKey is BOESBSDYSNREHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5-7(2)12-10(14)9(11-4)6-8(3)13/h5,9,11H,1-2,6H2,3-4H3,(H,12,14).
What are the key properties of N-buta-1,3-dien-2-yl-2-(methylamino)-4-oxopentanamide?
N-buta-1,3-dien-2-yl-2-(methylamino)-4-oxopentanamide has a molecular weight of 196.25 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-1,3-dien-2-yl-2-(methylamino)-4-oxopentanamide is sourced from PubChem (CID 88880435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).