(2-methylindolizin-3-yl)-(3-nitrophenyl)methanone

C16H12N2O3 — CID 2449575

IUPAC(2-methylindolizin-3-yl)-(3-nitrophenyl)methanone
SMILESCc1cc2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H12N2O3/c1-11-9-13-6-2-3-8-17(13)15(11)16(19)12-5-4-7-14(10-12)18(20)21/h2-10H,1H3
InChIKeyACAMMISBQDDNRD-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.39
Rot. Bonds3

About (2-methylindolizin-3-yl)-(3-nitrophenyl)methanone

(2-methylindolizin-3-yl)-(3-nitrophenyl)methanone (PubChem CID 2449575) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is (2-methylindolizin-3-yl)-(3-nitrophenyl)methanone.

Molecular Properties

Compound Name(2-methylindolizin-3-yl)-(3-nitrophenyl)methanone
PubChem CID2449575
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name(2-methylindolizin-3-yl)-(3-nitrophenyl)methanone
SMILESCc1cc2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H12N2O3/c1-11-9-13-6-2-3-8-17(13)15(11)16(19)12-5-4-7-14(10-12)18(20)21/h2-10H,1H3
InChIKeyACAMMISBQDDNRD-UHFFFAOYSA-N
XLogP3.39
TPSA64.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
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

(R,S)-AM1241
CID 10141893
(3-Nitrophenyl)-2-pyridinylmethanone
CID 1250570
(1-Methylpyrrol-2-yl)-(3-nitrophenyl)methanone
CID 2308530
(4-Nitrophenyl)-4-pyridinylmethanone
CID 670484
3-(1-methyl-1H-indol-3-yl)-4-(3-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327712
1-[1-(Pyridin-2-Yl)indolizin-3-Yl]ethan-1-One
CID 54759170
3-(4-Fluoro-benzoyl)-2-methyl-indolizine-1-carbaldehyde
CID 1991427
(3-Fluorophenyl)-(2-methylindolizin-3-yl)methanone
CID 2322044
(2-Fluorophenyl)-(2-methylindolizin-3-yl)methanone
CID 2322045
(2-Bromophenyl)-(2-methylindolizin-3-yl)methanone
CID 2322054
2-Methyl-1-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]pyridinium bromide
CID 2848602
N-{[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylidene}hydroxylamine
CID 6904896

Frequently Asked Questions

What is the IUPAC name of (2-methylindolizin-3-yl)-(3-nitrophenyl)methanone?
The IUPAC name of (2-methylindolizin-3-yl)-(3-nitrophenyl)methanone (CID 2449575) is (2-methylindolizin-3-yl)-(3-nitrophenyl)methanone.
What is the SMILES notation for (2-methylindolizin-3-yl)-(3-nitrophenyl)methanone?
The canonical SMILES for (2-methylindolizin-3-yl)-(3-nitrophenyl)methanone is Cc1cc2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (2-methylindolizin-3-yl)-(3-nitrophenyl)methanone?
The InChIKey is ACAMMISBQDDNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-11-9-13-6-2-3-8-17(13)15(11)16(19)12-5-4-7-14(10-12)18(20)21/h2-10H,1H3.
What are the key properties of (2-methylindolizin-3-yl)-(3-nitrophenyl)methanone?
(2-methylindolizin-3-yl)-(3-nitrophenyl)methanone has a molecular weight of 280.28 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylindolizin-3-yl)-(3-nitrophenyl)methanone is sourced from PubChem (CID 2449575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).