N-cyclopropyl-3-(7-nitroindol-1-yl)propanamide

C14H15N3O3 — CID 114936168

IUPACN-cyclopropyl-3-(7-nitroindol-1-yl)propanamide
SMILESO=C(CCn1ccc2cccc([N+](=O)[O-])c21)NC1CC1
InChIInChI=1S/C14H15N3O3/c18-13(15-11-4-5-11)7-9-16-8-6-10-2-1-3-12(14(10)16)17(19)20/h1-3,6,8,11H,4-5,7,9H2,(H,15,18)
InChIKeyRTITYZZIXFBQAF-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.22
Rot. Bonds5

About N-cyclopropyl-3-(7-nitroindol-1-yl)propanamide

N-cyclopropyl-3-(7-nitroindol-1-yl)propanamide (PubChem CID 114936168) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-cyclopropyl-3-(7-nitroindol-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(7-nitroindol-1-yl)propanamide
PubChem CID114936168
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-cyclopropyl-3-(7-nitroindol-1-yl)propanamide
SMILESO=C(CCn1ccc2cccc([N+](=O)[O-])c21)NC1CC1
InChIInChI=1S/C14H15N3O3/c18-13(15-11-4-5-11)7-9-16-8-6-10-2-1-3-12(14(10)16)17(19)20/h1-3,6,8,11H,4-5,7,9H2,(H,15,18)
InChIKeyRTITYZZIXFBQAF-UHFFFAOYSA-N
XLogP2.22
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cyclopropyl-3-(7-formylindol-1-yl)propanamide
CID 102909918
ethyl 3-(7-nitroindol-1-yl)propanoate
CID 114935544
6-(7-nitroindol-1-yl)hexan-1-ol
CID 107707117
N,N-dimethyl-4-(7-nitroindol-1-yl)butanamide
CID 114936098
1-but-3-enyl-7-nitroindole
CID 114936238
1-(3,3-diethoxypropyl)-7-nitroindole
CID 114936003
1-[3-(2-methoxyethoxy)propyl]-7-nitroindole
CID 103413364
N-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetamide
CID 107348962
N-cyclopentyl-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide
CID 110839559
1-(2-methylprop-2-enyl)-7-nitroindole
CID 114936103
1-(3-methylsulfonylpropyl)-7-nitroindole
CID 115874242
1-[2-(1-methylpyrazol-4-yl)ethyl]-7-nitroindole
CID 103015566

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(7-nitroindol-1-yl)propanamide?
The IUPAC name of N-cyclopropyl-3-(7-nitroindol-1-yl)propanamide (CID 114936168) is N-cyclopropyl-3-(7-nitroindol-1-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(7-nitroindol-1-yl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(7-nitroindol-1-yl)propanamide is O=C(CCn1ccc2cccc([N+](=O)[O-])c21)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-(7-nitroindol-1-yl)propanamide?
The InChIKey is RTITYZZIXFBQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-13(15-11-4-5-11)7-9-16-8-6-10-2-1-3-12(14(10)16)17(19)20/h1-3,6,8,11H,4-5,7,9H2,(H,15,18).
What are the key properties of N-cyclopropyl-3-(7-nitroindol-1-yl)propanamide?
N-cyclopropyl-3-(7-nitroindol-1-yl)propanamide has a molecular weight of 273.29 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(7-nitroindol-1-yl)propanamide is sourced from PubChem (CID 114936168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).