carbon dioxide;2-methyl-7-nitro-1-benzofuran

C10H7NO5 — CID 159902776

IUPACcarbon dioxide;2-methyl-7-nitro-1-benzofuran
SMILESCc1cc2cccc([N+](=O)[O-])c2o1.O=C=O
InChIInChI=1S/C9H7NO3.CO2/c1-6-5-7-3-2-4-8(10(11)12)9(7)13-6;2-1-3/h2-5H,1H3;
InChIKeyNWEFHLDQSYPPGX-UHFFFAOYSA-N
MW221.17 g/mol
LogP2.07
Rot. Bonds1

About carbon dioxide;2-methyl-7-nitro-1-benzofuran

carbon dioxide;2-methyl-7-nitro-1-benzofuran (PubChem CID 159902776) has the molecular formula C10H7NO5 and a molecular weight of 221.17 g/mol. Its IUPAC name is carbon dioxide;2-methyl-7-nitro-1-benzofuran.

Molecular Properties

Compound Namecarbon dioxide;2-methyl-7-nitro-1-benzofuran
PubChem CID159902776
Molecular FormulaC10H7NO5
Molecular Weight221.17 g/mol
Exact Mass221.03
IUPAC Namecarbon dioxide;2-methyl-7-nitro-1-benzofuran
SMILESCc1cc2cccc([N+](=O)[O-])c2o1.O=C=O
InChIInChI=1S/C9H7NO3.CO2/c1-6-5-7-3-2-4-8(10(11)12)9(7)13-6;2-1-3/h2-5H,1H3;
InChIKeyNWEFHLDQSYPPGX-UHFFFAOYSA-N
XLogP2.07
TPSA90.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze carbon dioxide;2-methyl-7-nitro-1-benzofuran 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

5-chloro-2-methyl-7-nitro-1-benzofuran
CID 70200690
(2-methyl-7-nitro-1-benzofuran-4-yl)hydrazine
CID 69493876
3-methyl-6-nitrodibenzofuran
CID 129136915
2-chloro-3-methyl-8-nitroquinoline
CID 86241531
3-methyl-7-nitro-1-benzofuran
CID 10241335
ethyl 7-nitro-1,3-benzoxazole-2-carboxylate
CID 19994719
6-methyl-8-nitrochromen-2-one
CID 176726542
(E)-3-(4-methylphenyl)-N-(8-nitro-2-oxochromen-3-yl)prop-2-enamide
CID 71694547
3-(chloromethyl)-2-methyl-7-nitro-1-benzofuran
CID 70199996
2,4-dimethyl-8-nitroquinoline
CID 608736
3-ethyl-8-nitroquinoline
CID 119082070
2-(2,6-dinitrophenyl)sulfanyl-1,3-dinitrobenzene
CID 154253761

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;2-methyl-7-nitro-1-benzofuran?
The IUPAC name of carbon dioxide;2-methyl-7-nitro-1-benzofuran (CID 159902776) is carbon dioxide;2-methyl-7-nitro-1-benzofuran.
What is the SMILES notation for carbon dioxide;2-methyl-7-nitro-1-benzofuran?
The canonical SMILES for carbon dioxide;2-methyl-7-nitro-1-benzofuran is Cc1cc2cccc([N+](=O)[O-])c2o1.O=C=O.
What is the InChIKey of carbon dioxide;2-methyl-7-nitro-1-benzofuran?
The InChIKey is NWEFHLDQSYPPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3.CO2/c1-6-5-7-3-2-4-8(10(11)12)9(7)13-6;2-1-3/h2-5H,1H3;.
What are the key properties of carbon dioxide;2-methyl-7-nitro-1-benzofuran?
carbon dioxide;2-methyl-7-nitro-1-benzofuran has a molecular weight of 221.17 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;2-methyl-7-nitro-1-benzofuran is sourced from PubChem (CID 159902776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).