2,3-dihydro-1H-benzotriazol-5-yl propyl carbonate

C10H13N3O3 — CID 121274700

IUPAC2,3-dihydro-1H-benzotriazol-5-yl propyl carbonate
SMILESCCCOC(=O)Oc1ccc2c(c1)NNN2
InChIInChI=1S/C10H13N3O3/c1-2-5-15-10(14)16-7-3-4-8-9(6-7)12-13-11-8/h3-4,6,11-13H,2,5H2,1H3
InChIKeyZQUXNZACLKPYKY-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.87
Rot. Bonds3

About 2,3-dihydro-1H-benzotriazol-5-yl propyl carbonate

2,3-dihydro-1H-benzotriazol-5-yl propyl carbonate (PubChem CID 121274700) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2,3-dihydro-1H-benzotriazol-5-yl propyl carbonate.

Molecular Properties

Compound Name2,3-dihydro-1H-benzotriazol-5-yl propyl carbonate
PubChem CID121274700
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2,3-dihydro-1H-benzotriazol-5-yl propyl carbonate
SMILESCCCOC(=O)Oc1ccc2c(c1)NNN2
InChIInChI=1S/C10H13N3O3/c1-2-5-15-10(14)16-7-3-4-8-9(6-7)12-13-11-8/h3-4,6,11-13H,2,5H2,1H3
InChIKeyZQUXNZACLKPYKY-UHFFFAOYSA-N
XLogP1.87
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(6-methylnaphthalen-2-yl) propyl carbonate
CID 58232642
(6-methylnaphthalen-2-yl) propyl carbonate;propane
CID 123704980
(3-chlorophenyl) propyl carbonate
CID 91713194
butyl (3-hydroxy-4-methoxyphenyl) carbonate
CID 54183003
(3,4-dimethylphenyl) ethyl carbonate
CID 19704470
(4-acetylphenyl) 2-propoxyethyl carbonate
CID 156748623
4-(2-propoxyethoxycarbonyloxy)benzoic acid
CID 170391078
phenyl 2,3-dihydro-1H-benzotriazole-5-carboxylate
CID 22947508
(4-aminophenyl) decyl carbonate
CID 139745082
(2-ethoxycarbonyloxyphenyl) propyl carbonate
CID 171768245
[5-(6-butoxycarbonyloxy-2-hydroxynaphthalen-1-yl)-6-hydroxynaphthalen-2-yl] butyl carbonate
CID 118121817
4-O-(3,4-dichlorophenyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730763

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-benzotriazol-5-yl propyl carbonate?
The IUPAC name of 2,3-dihydro-1H-benzotriazol-5-yl propyl carbonate (CID 121274700) is 2,3-dihydro-1H-benzotriazol-5-yl propyl carbonate.
What is the SMILES notation for 2,3-dihydro-1H-benzotriazol-5-yl propyl carbonate?
The canonical SMILES for 2,3-dihydro-1H-benzotriazol-5-yl propyl carbonate is CCCOC(=O)Oc1ccc2c(c1)NNN2.
What is the InChIKey of 2,3-dihydro-1H-benzotriazol-5-yl propyl carbonate?
The InChIKey is ZQUXNZACLKPYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-2-5-15-10(14)16-7-3-4-8-9(6-7)12-13-11-8/h3-4,6,11-13H,2,5H2,1H3.
What are the key properties of 2,3-dihydro-1H-benzotriazol-5-yl propyl carbonate?
2,3-dihydro-1H-benzotriazol-5-yl propyl carbonate has a molecular weight of 223.23 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-benzotriazol-5-yl propyl carbonate is sourced from PubChem (CID 121274700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).