2-(2-nitroprop-1-enyl)-1H-indole

C11H10N2O2 — CID 140830257

IUPAC2-(2-nitroprop-1-enyl)-1H-indole
SMILESCC(=Cc1cc2ccccc2[nH]1)[N+](=O)[O-]
InChIInChI=1S/C11H10N2O2/c1-8(13(14)15)6-10-7-9-4-2-3-5-11(9)12-10/h2-7,12H,1H3
InChIKeyRAPDNSZGABUQAC-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.81
Rot. Bonds2

About 2-(2-nitroprop-1-enyl)-1H-indole

2-(2-nitroprop-1-enyl)-1H-indole (PubChem CID 140830257) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(2-nitroprop-1-enyl)-1H-indole.

Molecular Properties

Compound Name2-(2-nitroprop-1-enyl)-1H-indole
PubChem CID140830257
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-(2-nitroprop-1-enyl)-1H-indole
SMILESCC(=Cc1cc2ccccc2[nH]1)[N+](=O)[O-]
InChIInChI=1S/C11H10N2O2/c1-8(13(14)15)6-10-7-9-4-2-3-5-11(9)12-10/h2-7,12H,1H3
InChIKeyRAPDNSZGABUQAC-UHFFFAOYSA-N
XLogP2.81
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.81
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

(E)-3-(1H-indol-2-yl)-2-methylprop-2-enal
CID 142626231
3-methyl-2-[(E)-2-nitroprop-1-enyl]-1H-indole
CID 10353261
3-(1H-indol-2-yl)-2-sulfanylprop-2-enoic acid
CID 73474273
methyl (Z)-2-chloro-3-(1H-indol-2-yl)prop-2-enoate
CID 23544871
2-nitroprop-1-enylbenzene
CID 12807
2-(2-methoxy-1-nitroethenyl)-1H-indole
CID 154178374
2-[2,2-bis(trifluoromethylsulfonyl)ethenyl]-1H-indole
CID 87352678
4-hydroxy-3-[(Z)-2-nitroprop-1-enyl]-1H-quinolin-2-one
CID 110273112
[(Z)-1-[(2Z)-2-ethylidenehydrazinyl]-2-(1H-indol-2-yl)ethenyl] acetate
CID 134921355
dihydroxy(oxo)phosphanium;bis(1H-indole-2-carbaldehyde);1H-pyrrole
CID 174598313
(Z)-3-(1H-indol-2-yl)-4-(3-nitrophenyl)but-3-en-2-one
CID 67850763
ethane;[(E)-3-(1H-indol-2-yl)prop-2-enyl] acetate
CID 143581966

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitroprop-1-enyl)-1H-indole?
The IUPAC name of 2-(2-nitroprop-1-enyl)-1H-indole (CID 140830257) is 2-(2-nitroprop-1-enyl)-1H-indole.
What is the SMILES notation for 2-(2-nitroprop-1-enyl)-1H-indole?
The canonical SMILES for 2-(2-nitroprop-1-enyl)-1H-indole is CC(=Cc1cc2ccccc2[nH]1)[N+](=O)[O-].
What is the InChIKey of 2-(2-nitroprop-1-enyl)-1H-indole?
The InChIKey is RAPDNSZGABUQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8(13(14)15)6-10-7-9-4-2-3-5-11(9)12-10/h2-7,12H,1H3.
What are the key properties of 2-(2-nitroprop-1-enyl)-1H-indole?
2-(2-nitroprop-1-enyl)-1H-indole has a molecular weight of 202.21 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitroprop-1-enyl)-1H-indole is sourced from PubChem (CID 140830257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).