N-[2-(5-oxopentan-2-yloxy)propyl]formamide

C9H17NO3 — CID 143770697

IUPACN-[2-(5-oxopentan-2-yloxy)propyl]formamide
SMILESCC(CCC=O)OC(C)CNC=O
InChIInChI=1S/C9H17NO3/c1-8(4-3-5-11)13-9(2)6-10-7-12/h5,7-9H,3-4,6H2,1-2H3,(H,10,12)
InChIKeyYROAGDMUKCRQSJ-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.51
Rot. Bonds8

About N-[2-(5-oxopentan-2-yloxy)propyl]formamide

N-[2-(5-oxopentan-2-yloxy)propyl]formamide (PubChem CID 143770697) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-[2-(5-oxopentan-2-yloxy)propyl]formamide.

Molecular Properties

Compound NameN-[2-(5-oxopentan-2-yloxy)propyl]formamide
PubChem CID143770697
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-[2-(5-oxopentan-2-yloxy)propyl]formamide
SMILESCC(CCC=O)OC(C)CNC=O
InChIInChI=1S/C9H17NO3/c1-8(4-3-5-11)13-9(2)6-10-7-12/h5,7-9H,3-4,6H2,1-2H3,(H,10,12)
InChIKeyYROAGDMUKCRQSJ-UHFFFAOYSA-N
XLogP0.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-oxopentan-2-yloxy)propyl]formamide?
The IUPAC name of N-[2-(5-oxopentan-2-yloxy)propyl]formamide (CID 143770697) is N-[2-(5-oxopentan-2-yloxy)propyl]formamide.
What is the SMILES notation for N-[2-(5-oxopentan-2-yloxy)propyl]formamide?
The canonical SMILES for N-[2-(5-oxopentan-2-yloxy)propyl]formamide is CC(CCC=O)OC(C)CNC=O.
What is the InChIKey of N-[2-(5-oxopentan-2-yloxy)propyl]formamide?
The InChIKey is YROAGDMUKCRQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-8(4-3-5-11)13-9(2)6-10-7-12/h5,7-9H,3-4,6H2,1-2H3,(H,10,12).
What are the key properties of N-[2-(5-oxopentan-2-yloxy)propyl]formamide?
N-[2-(5-oxopentan-2-yloxy)propyl]formamide has a molecular weight of 187.24 g/mol, XLogP of 0.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-oxopentan-2-yloxy)propyl]formamide is sourced from PubChem (CID 143770697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).