2-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide

C11H17N3O4 — CID 78886266

IUPAC2-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CC1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O4/c15-10-3-1-5-13(10)6-2-4-12-11(16)8-7-9(8)14(17)18/h8-9H,1-7H2,(H,12,16)
InChIKeyJHLHTONXWFGQMR-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.22
Rot. Bonds6

About 2-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide

2-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide (PubChem CID 78886266) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide
PubChem CID78886266
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CC1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O4/c15-10-3-1-5-13(10)6-2-4-12-11(16)8-7-9(8)14(17)18/h8-9H,1-7H2,(H,12,16)
InChIKeyJHLHTONXWFGQMR-UHFFFAOYSA-N
XLogP-0.22
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,2S)-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 42546160
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
2-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide
CID 86917440
(1R,2R,3R,4R)-3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124724800
N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-2-carboxamide
CID 119262246
(4aR,5S)-8-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5-carboxamide
CID 51710022
N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide
CID 119270399
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119262248
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119262243
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
N'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 45000134

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide (CID 78886266) is 2-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide is O=C(NCCCN1CCCC1=O)C1CC1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide?
The InChIKey is JHLHTONXWFGQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c15-10-3-1-5-13(10)6-2-4-12-11(16)8-7-9(8)14(17)18/h8-9H,1-7H2,(H,12,16).
What are the key properties of 2-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide?
2-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide has a molecular weight of 255.27 g/mol, XLogP of -0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 78886266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).