1-cyclopropyl-4-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide

C14H20N4O3 — CID 104971817

IUPAC1-cyclopropyl-4-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
SMILESO=C(NCC[C@H]1CCCN1)c1cc([N+](=O)[O-])cn1C1CC1
InChIInChI=1S/C14H20N4O3/c19-14(16-7-5-10-2-1-6-15-10)13-8-12(18(20)21)9-17(13)11-3-4-11/h8-11,15H,1-7H2,(H,16,19)/t10-/m1/s1
InChIKeyKTFVIJLXZZSDPG-SNVBAGLBSA-N
MW292.34 g/mol
LogP1.60
Rot. Bonds6

About 1-cyclopropyl-4-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide

1-cyclopropyl-4-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide (PubChem CID 104971817) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-cyclopropyl-4-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-4-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
PubChem CID104971817
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name1-cyclopropyl-4-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
SMILESO=C(NCC[C@H]1CCCN1)c1cc([N+](=O)[O-])cn1C1CC1
InChIInChI=1S/C14H20N4O3/c19-14(16-7-5-10-2-1-6-15-10)13-8-12(18(20)21)9-17(13)11-3-4-11/h8-11,15H,1-7H2,(H,16,19)/t10-/m1/s1
InChIKeyKTFVIJLXZZSDPG-SNVBAGLBSA-N
XLogP1.60
TPSA89.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(azetidin-3-yl)-1-cyclopropyl-4-nitropyrrole-2-carboxamide
CID 66185142
4-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 104955047
1-cyclopropyl-N-[3-(ethylamino)propyl]-4-nitropyrrole-2-carboxamide
CID 43640525
2-bromo-5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971622
3-chloro-5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971787
1-ethyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 62541107
1-cyclopropyl-4-nitro-N-(1H-pyrrol-3-ylmethyl)pyrrole-2-carboxamide
CID 106385903
2-fluoro-5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971818
1-cyclobutyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104971656
1-cyclopropyl-N-(2,3-dihydroxypropyl)-4-nitropyrrole-2-carboxamide
CID 66176627
4-bromo-1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104955320
1-cyclopropyl-N-(4-methylpiperidin-4-yl)-4-nitropyrrole-2-carboxamide
CID 114696474

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-4-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide (CID 104971817) is 1-cyclopropyl-4-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-4-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-4-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide is O=C(NCC[C@H]1CCCN1)c1cc([N+](=O)[O-])cn1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide?
The InChIKey is KTFVIJLXZZSDPG-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-14(16-7-5-10-2-1-6-15-10)13-8-12(18(20)21)9-17(13)11-3-4-11/h8-11,15H,1-7H2,(H,16,19)/t10-/m1/s1.
What are the key properties of 1-cyclopropyl-4-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide?
1-cyclopropyl-4-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 104971817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).