2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone

C14H15N3O4 — CID 62031445

IUPAC2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone
SMILESO=C(CN(Cc1ccco1)C1CC1)c1cc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C14H15N3O4/c18-14(13-6-11(7-15-13)17(19)20)9-16(10-3-4-10)8-12-2-1-5-21-12/h1-2,5-7,10,15H,3-4,8-9H2
InChIKeyWYKFRCUQMGDNOC-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.36
Rot. Bonds7

About 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone

2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone (PubChem CID 62031445) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone
PubChem CID62031445
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone
SMILESO=C(CN(Cc1ccco1)C1CC1)c1cc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C14H15N3O4/c18-14(13-6-11(7-15-13)17(19)20)9-16(10-3-4-10)8-12-2-1-5-21-12/h1-2,5-7,10,15H,3-4,8-9H2
InChIKeyWYKFRCUQMGDNOC-UHFFFAOYSA-N
XLogP2.36
TPSA92.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
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

2-[cyclopentyl(ethyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone
CID 43796303
2-[cyclopropyl(2-methoxyethyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone
CID 61452096
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone
CID 62030869
N-cyclopropyl-N-(furan-2-ylmethyl)-6-nitro-1H-indole-3-carboxamide
CID 75479572
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-thiophen-2-ylethanone
CID 62029916
1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 62028966
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 62030109
2-[cyclopropyl(furan-2-ylmethyl)amino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 47077887
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
CID 62030108
2-[ethyl(methyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone
CID 43794841
4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoic acid
CID 76940913
N-cyclopropyl-3-fluoro-N-(furan-2-ylmethyl)-5-nitroaniline
CID 80753176

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone (CID 62031445) is 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone is O=C(CN(Cc1ccco1)C1CC1)c1cc([N+](=O)[O-])c[nH]1.
What is the InChIKey of 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone?
The InChIKey is WYKFRCUQMGDNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c18-14(13-6-11(7-15-13)17(19)20)9-16(10-3-4-10)8-12-2-1-5-21-12/h1-2,5-7,10,15H,3-4,8-9H2.
What are the key properties of 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone?
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone has a molecular weight of 289.29 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 62031445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).