[4-(4-cyclopropylbenzoyl)-3-pyridinyl] methyl carbonate

C17H15NO4 — CID 23103601

IUPAC[4-(4-cyclopropylbenzoyl)-3-pyridinyl] methyl carbonate
SMILESCOC(=O)Oc1cnccc1C(=O)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H15NO4/c1-21-17(20)22-15-10-18-9-8-14(15)16(19)13-6-4-12(5-7-13)11-2-3-11/h4-11H,2-3H2,1H3
InChIKeyQDHVFDGASKQBAB-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.34
Rot. Bonds4

About [4-(4-cyclopropylbenzoyl)-3-pyridinyl] methyl carbonate

[4-(4-cyclopropylbenzoyl)-3-pyridinyl] methyl carbonate (PubChem CID 23103601) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is [4-(4-cyclopropylbenzoyl)-3-pyridinyl] methyl carbonate.

Molecular Properties

Compound Name[4-(4-cyclopropylbenzoyl)-3-pyridinyl] methyl carbonate
PubChem CID23103601
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name[4-(4-cyclopropylbenzoyl)-3-pyridinyl] methyl carbonate
SMILESCOC(=O)Oc1cnccc1C(=O)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H15NO4/c1-21-17(20)22-15-10-18-9-8-14(15)16(19)13-6-4-12(5-7-13)11-2-3-11/h4-11H,2-3H2,1H3
InChIKeyQDHVFDGASKQBAB-UHFFFAOYSA-N
XLogP3.34
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-cyclopropylbenzoyl)-3-pyridinyl] methyl carbonate?
The IUPAC name of [4-(4-cyclopropylbenzoyl)-3-pyridinyl] methyl carbonate (CID 23103601) is [4-(4-cyclopropylbenzoyl)-3-pyridinyl] methyl carbonate.
What is the SMILES notation for [4-(4-cyclopropylbenzoyl)-3-pyridinyl] methyl carbonate?
The canonical SMILES for [4-(4-cyclopropylbenzoyl)-3-pyridinyl] methyl carbonate is COC(=O)Oc1cnccc1C(=O)c1ccc(C2CC2)cc1.
What is the InChIKey of [4-(4-cyclopropylbenzoyl)-3-pyridinyl] methyl carbonate?
The InChIKey is QDHVFDGASKQBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-21-17(20)22-15-10-18-9-8-14(15)16(19)13-6-4-12(5-7-13)11-2-3-11/h4-11H,2-3H2,1H3.
What are the key properties of [4-(4-cyclopropylbenzoyl)-3-pyridinyl] methyl carbonate?
[4-(4-cyclopropylbenzoyl)-3-pyridinyl] methyl carbonate has a molecular weight of 297.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyclopropylbenzoyl)-3-pyridinyl] methyl carbonate is sourced from PubChem (CID 23103601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).