5H-[1,3]dioxolo[4,5-f]indole-6-carbonyl chloride

C10H6ClNO3 — CID 10822981

IUPAC5H-[1,3]dioxolo[4,5-f]indole-6-carbonyl chloride
SMILESO=C(Cl)c1cc2cc3c(cc2[nH]1)OCO3
InChIInChI=1S/C10H6ClNO3/c11-10(13)7-1-5-2-8-9(15-4-14-8)3-6(5)12-7/h1-3,12H,4H2
InChIKeyIYEWPLVEZUUFMJ-UHFFFAOYSA-N
MW223.61 g/mol
LogP2.28
Rot. Bonds1

About 5H-[1,3]dioxolo[4,5-f]indole-6-carbonyl chloride

5H-[1,3]dioxolo[4,5-f]indole-6-carbonyl chloride (PubChem CID 10822981) has the molecular formula C10H6ClNO3 and a molecular weight of 223.61 g/mol. Its IUPAC name is 5H-[1,3]dioxolo[4,5-f]indole-6-carbonyl chloride.

Molecular Properties

Compound Name5H-[1,3]dioxolo[4,5-f]indole-6-carbonyl chloride
PubChem CID10822981
Molecular FormulaC10H6ClNO3
Molecular Weight223.61 g/mol
Exact Mass223.00
IUPAC Name5H-[1,3]dioxolo[4,5-f]indole-6-carbonyl chloride
SMILESO=C(Cl)c1cc2cc3c(cc2[nH]1)OCO3
InChIInChI=1S/C10H6ClNO3/c11-10(13)7-1-5-2-8-9(15-4-14-8)3-6(5)12-7/h1-3,12H,4H2
InChIKeyIYEWPLVEZUUFMJ-UHFFFAOYSA-N
XLogP2.28
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.61
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid
CID 82048474
methyl 3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate
CID 16768515
6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde
CID 3145231
5-bromo-1H-indole-2-carbonyl chloride
CID 13466371
8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-6-carboxylic acid
CID 63376945
5-(1,3-benzodioxol-5-yloxy)-1H-indole-2-carboxylic acid
CID 5039380
6-phenyl-5H-[1,3]dioxolo[4,5-f]indole
CID 4067102
7-[[2-hydroxyethyl(methyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 91823152
N-[(4-methylphenyl)methyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]acetamide
CID 3194281
7-methoxy-N-methyl-16,18-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),3,5,7,9,11,13,15(19)-octaene-6-carboxamide
CID 67918122
(6-bromo-1,3-benzodioxol-5-yl)methyl 1H-indole-2-carboxylate
CID 7533522
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-indole-2-carboxamide
CID 26444163

Frequently Asked Questions

What is the IUPAC name of 5H-[1,3]dioxolo[4,5-f]indole-6-carbonyl chloride?
The IUPAC name of 5H-[1,3]dioxolo[4,5-f]indole-6-carbonyl chloride (CID 10822981) is 5H-[1,3]dioxolo[4,5-f]indole-6-carbonyl chloride.
What is the SMILES notation for 5H-[1,3]dioxolo[4,5-f]indole-6-carbonyl chloride?
The canonical SMILES for 5H-[1,3]dioxolo[4,5-f]indole-6-carbonyl chloride is O=C(Cl)c1cc2cc3c(cc2[nH]1)OCO3.
What is the InChIKey of 5H-[1,3]dioxolo[4,5-f]indole-6-carbonyl chloride?
The InChIKey is IYEWPLVEZUUFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO3/c11-10(13)7-1-5-2-8-9(15-4-14-8)3-6(5)12-7/h1-3,12H,4H2.
What are the key properties of 5H-[1,3]dioxolo[4,5-f]indole-6-carbonyl chloride?
5H-[1,3]dioxolo[4,5-f]indole-6-carbonyl chloride has a molecular weight of 223.61 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-[1,3]dioxolo[4,5-f]indole-6-carbonyl chloride is sourced from PubChem (CID 10822981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).