3-nitro-2-propyl-1H-pyrrole

C7H10N2O2 — CID 100914810

IUPAC3-nitro-2-propyl-1H-pyrrole
SMILESCCCc1[nH]ccc1[N+](=O)[O-]
InChIInChI=1S/C7H10N2O2/c1-2-3-6-7(9(10)11)4-5-8-6/h4-5,8H,2-3H2,1H3
InChIKeyWDNJZEYGDYAHFT-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.88
Rot. Bonds3

About 3-nitro-2-propyl-1H-pyrrole

3-nitro-2-propyl-1H-pyrrole (PubChem CID 100914810) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-nitro-2-propyl-1H-pyrrole.

Molecular Properties

Compound Name3-nitro-2-propyl-1H-pyrrole
PubChem CID100914810
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-nitro-2-propyl-1H-pyrrole
SMILESCCCc1[nH]ccc1[N+](=O)[O-]
InChIInChI=1S/C7H10N2O2/c1-2-3-6-7(9(10)11)4-5-8-6/h4-5,8H,2-3H2,1H3
InChIKeyWDNJZEYGDYAHFT-UHFFFAOYSA-N
XLogP1.88
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-propyl-1H-pyrrol-3-ol
CID 70540256
2-(1-methoxyethyl)-3-nitro-1H-pyrrole
CID 68855034
5-methyl-3-nitro-6-propyl-1H-pyridin-2-one
CID 59140005
5,6-dinitro-3-propyl-2H-indazole
CID 139995253
3-(chloromethyl)-4-nitro-1H-pyridin-2-one
CID 131187844
2,3-dipropyl-1H-pyrrole;1H-pyrrole;ruthenium
CID 174567277
3-nitro-2-propylaniline
CID 70010026
6-chloro-3-nitro-2-propylpyridine
CID 20822926
disodium;2-(3-nitro-1H-pyrrol-2-yl)butanedioate
CID 141171644
ethane;1-nitro-4-propylbenzene
CID 123575523
2-nitro-1-propyl-4-(trifluoromethyl)benzene
CID 20760273
N-butyl-3-chloro-2,6-dinitroaniline
CID 11832572

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-propyl-1H-pyrrole?
The IUPAC name of 3-nitro-2-propyl-1H-pyrrole (CID 100914810) is 3-nitro-2-propyl-1H-pyrrole.
What is the SMILES notation for 3-nitro-2-propyl-1H-pyrrole?
The canonical SMILES for 3-nitro-2-propyl-1H-pyrrole is CCCc1[nH]ccc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-2-propyl-1H-pyrrole?
The InChIKey is WDNJZEYGDYAHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-3-6-7(9(10)11)4-5-8-6/h4-5,8H,2-3H2,1H3.
What are the key properties of 3-nitro-2-propyl-1H-pyrrole?
3-nitro-2-propyl-1H-pyrrole has a molecular weight of 154.17 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-propyl-1H-pyrrole is sourced from PubChem (CID 100914810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).