1-cyclopropyl-N-(2,3-dihydroxypropyl)-4-nitropyrrole-2-carboxamide

C11H15N3O5 — CID 66176627

IUPAC1-cyclopropyl-N-(2,3-dihydroxypropyl)-4-nitropyrrole-2-carboxamide
SMILESO=C(NCC(O)CO)c1cc([N+](=O)[O-])cn1C1CC1
InChIInChI=1S/C11H15N3O5/c15-6-9(16)4-12-11(17)10-3-8(14(18)19)5-13(10)7-1-2-7/h3,5,7,9,15-16H,1-2,4,6H2,(H,12,17)
InChIKeyOMZOURUGKWSRLT-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.19
Rot. Bonds6

About 1-cyclopropyl-N-(2,3-dihydroxypropyl)-4-nitropyrrole-2-carboxamide

1-cyclopropyl-N-(2,3-dihydroxypropyl)-4-nitropyrrole-2-carboxamide (PubChem CID 66176627) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2,3-dihydroxypropyl)-4-nitropyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(2,3-dihydroxypropyl)-4-nitropyrrole-2-carboxamide
PubChem CID66176627
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name1-cyclopropyl-N-(2,3-dihydroxypropyl)-4-nitropyrrole-2-carboxamide
SMILESO=C(NCC(O)CO)c1cc([N+](=O)[O-])cn1C1CC1
InChIInChI=1S/C11H15N3O5/c15-6-9(16)4-12-11(17)10-3-8(14(18)19)5-13(10)7-1-2-7/h3,5,7,9,15-16H,1-2,4,6H2,(H,12,17)
InChIKeyOMZOURUGKWSRLT-UHFFFAOYSA-N
XLogP-0.19
TPSA117.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

1-cyclopropyl-N-[(2S)-1-hydroxybutan-2-yl]-4-nitropyrrole-2-carboxamide
CID 104981753
N-(azetidin-3-yl)-1-cyclopropyl-4-nitropyrrole-2-carboxamide
CID 66185142
1-cyclopropyl-4-nitro-N-(1H-pyrrol-3-ylmethyl)pyrrole-2-carboxamide
CID 106385903
1-cyclopropyl-N-[3-(ethylamino)propyl]-4-nitropyrrole-2-carboxamide
CID 43640525
N,1-dicyclopropyl-N-(2-hydroxyethyl)-4-nitropyrrole-2-carboxamide
CID 43640511
1-cyclopropyl-4-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104971817
1-cyclopropyl-4-nitro-N-pent-4-yn-2-ylpyrrole-2-carboxamide
CID 113477563
1-cyclopropyl-N-hex-1-yn-3-yl-4-nitropyrrole-2-carboxamide
CID 106228226
3-(1,2-dihydroxyethyl)-N-(2,3-dihydroxypropyl)-5-nitrobenzamide
CID 18429365
1-cyclopropyl-4-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 106282098
1-cyclopropyl-N-(4-methylpiperidin-4-yl)-4-nitropyrrole-2-carboxamide
CID 114696474
1-cyclopropyl-N-(6-fluoro-2-pyridinyl)-4-nitropyrrole-2-carboxamide
CID 104820938

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2,3-dihydroxypropyl)-4-nitropyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(2,3-dihydroxypropyl)-4-nitropyrrole-2-carboxamide (CID 66176627) is 1-cyclopropyl-N-(2,3-dihydroxypropyl)-4-nitropyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(2,3-dihydroxypropyl)-4-nitropyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(2,3-dihydroxypropyl)-4-nitropyrrole-2-carboxamide is O=C(NCC(O)CO)c1cc([N+](=O)[O-])cn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(2,3-dihydroxypropyl)-4-nitropyrrole-2-carboxamide?
The InChIKey is OMZOURUGKWSRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c15-6-9(16)4-12-11(17)10-3-8(14(18)19)5-13(10)7-1-2-7/h3,5,7,9,15-16H,1-2,4,6H2,(H,12,17).
What are the key properties of 1-cyclopropyl-N-(2,3-dihydroxypropyl)-4-nitropyrrole-2-carboxamide?
1-cyclopropyl-N-(2,3-dihydroxypropyl)-4-nitropyrrole-2-carboxamide has a molecular weight of 269.26 g/mol, XLogP of -0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2,3-dihydroxypropyl)-4-nitropyrrole-2-carboxamide is sourced from PubChem (CID 66176627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).