6-amino-1-(3-nitrosopyrrolidin-1-yl)hexan-1-one

C10H19N3O2 — CID 178062004

IUPAC6-amino-1-(3-nitrosopyrrolidin-1-yl)hexan-1-one
SMILESNCCCCCC(=O)N1CCC(N=O)C1
InChIInChI=1S/C10H19N3O2/c11-6-3-1-2-4-10(14)13-7-5-9(8-13)12-15/h9H,1-8,11H2
InChIKeyAZOGIUHDNHVFJV-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.87
Rot. Bonds6

About 6-amino-1-(3-nitrosopyrrolidin-1-yl)hexan-1-one

6-amino-1-(3-nitrosopyrrolidin-1-yl)hexan-1-one (PubChem CID 178062004) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 6-amino-1-(3-nitrosopyrrolidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name6-amino-1-(3-nitrosopyrrolidin-1-yl)hexan-1-one
PubChem CID178062004
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name6-amino-1-(3-nitrosopyrrolidin-1-yl)hexan-1-one
SMILESNCCCCCC(=O)N1CCC(N=O)C1
InChIInChI=1S/C10H19N3O2/c11-6-3-1-2-4-10(14)13-7-5-9(8-13)12-15/h9H,1-8,11H2
InChIKeyAZOGIUHDNHVFJV-UHFFFAOYSA-N
XLogP0.87
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one
CID 103532834
1-(5-aminopentanoyl)piperidine-3,4-dicarboxylic acid
CID 112568080
6-amino-1-[3-(diethylamino)pyrrolidin-1-yl]hexan-1-one
CID 55157992
6-amino-1-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43133252
4-amino-1-(3-fluoropyrrolidin-1-yl)butan-1-one
CID 83854045
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107222956
7-amino-1-(3-hydroxyazetidin-1-yl)heptan-1-one
CID 107217559
6-amino-1-(3,3-difluoroazetidin-1-yl)hexan-1-one
CID 91109495
6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43590415
7-amino-1-pyrrolidin-1-ylheptan-1-one
CID 24707646
7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride
CID 119806012
7-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
CID 107216980

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(3-nitrosopyrrolidin-1-yl)hexan-1-one?
The IUPAC name of 6-amino-1-(3-nitrosopyrrolidin-1-yl)hexan-1-one (CID 178062004) is 6-amino-1-(3-nitrosopyrrolidin-1-yl)hexan-1-one.
What is the SMILES notation for 6-amino-1-(3-nitrosopyrrolidin-1-yl)hexan-1-one?
The canonical SMILES for 6-amino-1-(3-nitrosopyrrolidin-1-yl)hexan-1-one is NCCCCCC(=O)N1CCC(N=O)C1.
What is the InChIKey of 6-amino-1-(3-nitrosopyrrolidin-1-yl)hexan-1-one?
The InChIKey is AZOGIUHDNHVFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c11-6-3-1-2-4-10(14)13-7-5-9(8-13)12-15/h9H,1-8,11H2.
What are the key properties of 6-amino-1-(3-nitrosopyrrolidin-1-yl)hexan-1-one?
6-amino-1-(3-nitrosopyrrolidin-1-yl)hexan-1-one has a molecular weight of 213.28 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(3-nitrosopyrrolidin-1-yl)hexan-1-one is sourced from PubChem (CID 178062004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).