N-(5-nitrosopentyl)-3-oxobutanamide

C9H16N2O3 — CID 88904521

IUPACN-(5-nitrosopentyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)NCCCCCN=O
InChIInChI=1S/C9H16N2O3/c1-8(12)7-9(13)10-5-3-2-4-6-11-14/h2-7H2,1H3,(H,10,13)
InChIKeyWOSKUCQPKJKKPV-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.02
Rot. Bonds8

About N-(5-nitrosopentyl)-3-oxobutanamide

N-(5-nitrosopentyl)-3-oxobutanamide (PubChem CID 88904521) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is N-(5-nitrosopentyl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(5-nitrosopentyl)-3-oxobutanamide
PubChem CID88904521
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC NameN-(5-nitrosopentyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)NCCCCCN=O
InChIInChI=1S/C9H16N2O3/c1-8(12)7-9(13)10-5-3-2-4-6-11-14/h2-7H2,1H3,(H,10,13)
InChIKeyWOSKUCQPKJKKPV-UHFFFAOYSA-N
XLogP1.02
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-oxobutanamide
CID 5161533
N-[3-(ethylamino)propyl]-3-oxobutanamide
CID 170655625
3-oxo-N-(3-oxobutyl)butanamide
CID 159841934
N-methyl-7-nitrosoheptan-1-amine
CID 143959135
acetic acid;2-amino-N-[10-[(2-aminoacetyl)amino]decyl]acetamide
CID 54606253
N-(2-chloroethyl)-3-oxobutanamide
CID 3015258
N-(2-bromoethyl)-3-oxobutanamide
CID 21454933
N-(2-aminoethyl)-3-oxobutanamide
CID 3020471
methyl 3-(3-oxobutanoylamino)propanoate
CID 61249216
N-(12-oxotridecyl)propanamide
CID 171540592
N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxobutanamide
CID 61251319
2-hydroxy-N-[7-[(2-hydroxyacetyl)amino]heptyl]acetamide
CID 119089107

Frequently Asked Questions

What is the IUPAC name of N-(5-nitrosopentyl)-3-oxobutanamide?
The IUPAC name of N-(5-nitrosopentyl)-3-oxobutanamide (CID 88904521) is N-(5-nitrosopentyl)-3-oxobutanamide.
What is the SMILES notation for N-(5-nitrosopentyl)-3-oxobutanamide?
The canonical SMILES for N-(5-nitrosopentyl)-3-oxobutanamide is CC(=O)CC(=O)NCCCCCN=O.
What is the InChIKey of N-(5-nitrosopentyl)-3-oxobutanamide?
The InChIKey is WOSKUCQPKJKKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-8(12)7-9(13)10-5-3-2-4-6-11-14/h2-7H2,1H3,(H,10,13).
What are the key properties of N-(5-nitrosopentyl)-3-oxobutanamide?
N-(5-nitrosopentyl)-3-oxobutanamide has a molecular weight of 200.24 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitrosopentyl)-3-oxobutanamide is sourced from PubChem (CID 88904521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).