4-(azidomethyl)-1-(3-methoxypropyl)pyrrolidin-2-one

C9H16N4O2 — CID 168656366

IUPAC4-(azidomethyl)-1-(3-methoxypropyl)pyrrolidin-2-one
SMILESCOCCCN1CC(CN=[N+]=[N-])CC1=O
InChIInChI=1S/C9H16N4O2/c1-15-4-2-3-13-7-8(5-9(13)14)6-11-12-10/h8H,2-7H2,1H3
InChIKeyCEPWIQKLKJNICK-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.18
Rot. Bonds6

About 4-(azidomethyl)-1-(3-methoxypropyl)pyrrolidin-2-one

4-(azidomethyl)-1-(3-methoxypropyl)pyrrolidin-2-one (PubChem CID 168656366) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(3-methoxypropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(3-methoxypropyl)pyrrolidin-2-one
PubChem CID168656366
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name4-(azidomethyl)-1-(3-methoxypropyl)pyrrolidin-2-one
SMILESCOCCCN1CC(CN=[N+]=[N-])CC1=O
InChIInChI=1S/C9H16N4O2/c1-15-4-2-3-13-7-8(5-9(13)14)6-11-12-10/h8H,2-7H2,1H3
InChIKeyCEPWIQKLKJNICK-UHFFFAOYSA-N
XLogP1.18
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(azidomethyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one
CID 168656232
4-(azidomethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidin-2-one
CID 168655926
1-(3-aminopentyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168655557
4-(azidomethyl)-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-2-one
CID 168656717
[1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681092
4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one
CID 168657130
4-(azidomethyl)-1-[2-(4-ethylphenyl)ethyl]pyrrolidin-2-one
CID 168656177
4-(azidomethyl)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-one
CID 168657179
tert-butyl N-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate
CID 168655854
4-(azidomethyl)-1-[2-(1-ethylpiperidin-4-yl)ethyl]pyrrolidin-2-one
CID 168656073
4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one
CID 168507422
tert-butyl 4-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]piperidine-1-carboxylate
CID 168655844

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-(3-methoxypropyl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(3-methoxypropyl)pyrrolidin-2-one (CID 168656366) is 4-(azidomethyl)-1-(3-methoxypropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(3-methoxypropyl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(3-methoxypropyl)pyrrolidin-2-one is COCCCN1CC(CN=[N+]=[N-])CC1=O.
What is the InChIKey of 4-(azidomethyl)-1-(3-methoxypropyl)pyrrolidin-2-one?
The InChIKey is CEPWIQKLKJNICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-15-4-2-3-13-7-8(5-9(13)14)6-11-12-10/h8H,2-7H2,1H3.
What are the key properties of 4-(azidomethyl)-1-(3-methoxypropyl)pyrrolidin-2-one?
4-(azidomethyl)-1-(3-methoxypropyl)pyrrolidin-2-one has a molecular weight of 212.25 g/mol, XLogP of 1.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(3-methoxypropyl)pyrrolidin-2-one is sourced from PubChem (CID 168656366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).