2-ethyl-6-nitro-3,4-dihydro-2H-chromene

C11H13NO3 — CID 118021532

IUPAC2-ethyl-6-nitro-3,4-dihydro-2H-chromene
SMILESCCC1CCc2cc([N+](=O)[O-])ccc2O1
InChIInChI=1S/C11H13NO3/c1-2-10-5-3-8-7-9(12(13)14)4-6-11(8)15-10/h4,6-7,10H,2-3,5H2,1H3
InChIKeyYDLAMGIXWNPXFH-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.70
Rot. Bonds2

About 2-ethyl-6-nitro-3,4-dihydro-2H-chromene

2-ethyl-6-nitro-3,4-dihydro-2H-chromene (PubChem CID 118021532) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-ethyl-6-nitro-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-ethyl-6-nitro-3,4-dihydro-2H-chromene
PubChem CID118021532
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-ethyl-6-nitro-3,4-dihydro-2H-chromene
SMILESCCC1CCc2cc([N+](=O)[O-])ccc2O1
InChIInChI=1S/C11H13NO3/c1-2-10-5-3-8-7-9(12(13)14)4-6-11(8)15-10/h4,6-7,10H,2-3,5H2,1H3
InChIKeyYDLAMGIXWNPXFH-UHFFFAOYSA-N
XLogP2.70
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-ethyl-6-nitro-3,4-dihydro-2H-chromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-6-nitro-3,4-dihydro-2H-chromene
CID 11253060
2-(2-ethyl-3,4-dihydro-2H-chromen-6-yl)-2-oxoacetic acid
CID 20531243
N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-1-(6-nitro-3,4-dihydro-2H-chromen-2-yl)methanamine
CID 19079528
2-[2-(6-nitro-3,4-dihydro-2H-chromen-2-yl)ethylamino]-1-pyridin-3-ylethanol
CID 142182127
2,3-difluoro-6-nitro-3,4-dihydro-2H-chromene
CID 174756922
ethane;2-methyl-6-nitro-4H-chromen-3-one
CID 142100004
2-ethyl-4-methyl-5-nitro-2,3-dihydro-1-benzofuran
CID 59127239
5-nitro-2,3-dihydro-1-benzofuran-2-carbaldehyde
CID 88894337
3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
CID 66694887
methyl 5-nitro-2,3-dihydro-1-benzofuran-2-carboxylate
CID 14468425
1-(3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)propan-2-one
CID 147447965
N,N-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-amine
CID 54164704

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-nitro-3,4-dihydro-2H-chromene?
The IUPAC name of 2-ethyl-6-nitro-3,4-dihydro-2H-chromene (CID 118021532) is 2-ethyl-6-nitro-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-ethyl-6-nitro-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-ethyl-6-nitro-3,4-dihydro-2H-chromene is CCC1CCc2cc([N+](=O)[O-])ccc2O1.
What is the InChIKey of 2-ethyl-6-nitro-3,4-dihydro-2H-chromene?
The InChIKey is YDLAMGIXWNPXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-10-5-3-8-7-9(12(13)14)4-6-11(8)15-10/h4,6-7,10H,2-3,5H2,1H3.
What are the key properties of 2-ethyl-6-nitro-3,4-dihydro-2H-chromene?
2-ethyl-6-nitro-3,4-dihydro-2H-chromene has a molecular weight of 207.23 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-nitro-3,4-dihydro-2H-chromene is sourced from PubChem (CID 118021532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).