2-(5-nitro-2,3-dihydro-1H-indol-2-yl)propan-1-ol

C11H14N2O3 — CID 70828178

IUPAC2-(5-nitro-2,3-dihydro-1H-indol-2-yl)propan-1-ol
SMILESCC(CO)C1Cc2cc([N+](=O)[O-])ccc2N1
InChIInChI=1S/C11H14N2O3/c1-7(6-14)11-5-8-4-9(13(15)16)2-3-10(8)12-11/h2-4,7,11-12,14H,5-6H2,1H3
InChIKeyBUICEXAHNYXKRW-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.56
Rot. Bonds3

About 2-(5-nitro-2,3-dihydro-1H-indol-2-yl)propan-1-ol

2-(5-nitro-2,3-dihydro-1H-indol-2-yl)propan-1-ol (PubChem CID 70828178) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(5-nitro-2,3-dihydro-1H-indol-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-(5-nitro-2,3-dihydro-1H-indol-2-yl)propan-1-ol
PubChem CID70828178
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(5-nitro-2,3-dihydro-1H-indol-2-yl)propan-1-ol
SMILESCC(CO)C1Cc2cc([N+](=O)[O-])ccc2N1
InChIInChI=1S/C11H14N2O3/c1-7(6-14)11-5-8-4-9(13(15)16)2-3-10(8)12-11/h2-4,7,11-12,14H,5-6H2,1H3
InChIKeyBUICEXAHNYXKRW-UHFFFAOYSA-N
XLogP1.56
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.56
H-Bond Donors ≤ 52
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

2-cyclopropyl-5-nitro-2,3-dihydro-1H-indole
CID 70828062
methyl (2S)-6-nitro-2,3-dihydro-1H-indole-2-carboxylate
CID 59440122
2-butyl-6-nitro-2,3-dihydro-1H-indole
CID 151493892
1-(2-amino-5-nitrophenyl)ethane-1,2-diol
CID 11321550
3-(2-amino-4-nitrophenyl)sulfanyl-2-methylpropan-1-ol
CID 66105283
2-(1-hydroxyethyl)-5-nitro-2,3-dihydroinden-1-one
CID 90078950
3-methyl-6-nitro-1,4-dihydroquinazolin-2-one
CID 57415942
3-methyl-7-nitro-2,5-dihydro-1H-1-benzazepine
CID 102287114
CID 177384044
CID 177384044
2-(2,5-dinitrophenyl)propan-1-ol
CID 22708683
(2S)-2-methyl-7-nitro-1,2,3,4-tetrahydroquinoline
CID 129394828
actinium;2-[4-(dimethylamino)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl]ethanol
CID 23518760

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitro-2,3-dihydro-1H-indol-2-yl)propan-1-ol?
The IUPAC name of 2-(5-nitro-2,3-dihydro-1H-indol-2-yl)propan-1-ol (CID 70828178) is 2-(5-nitro-2,3-dihydro-1H-indol-2-yl)propan-1-ol.
What is the SMILES notation for 2-(5-nitro-2,3-dihydro-1H-indol-2-yl)propan-1-ol?
The canonical SMILES for 2-(5-nitro-2,3-dihydro-1H-indol-2-yl)propan-1-ol is CC(CO)C1Cc2cc([N+](=O)[O-])ccc2N1.
What is the InChIKey of 2-(5-nitro-2,3-dihydro-1H-indol-2-yl)propan-1-ol?
The InChIKey is BUICEXAHNYXKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7(6-14)11-5-8-4-9(13(15)16)2-3-10(8)12-11/h2-4,7,11-12,14H,5-6H2,1H3.
What are the key properties of 2-(5-nitro-2,3-dihydro-1H-indol-2-yl)propan-1-ol?
2-(5-nitro-2,3-dihydro-1H-indol-2-yl)propan-1-ol has a molecular weight of 222.24 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitro-2,3-dihydro-1H-indol-2-yl)propan-1-ol is sourced from PubChem (CID 70828178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).