[1-(benzotriazol-1-yloxy)cyclopropyl]-phenylmethanone

C16H13N3O2 — CID 25270363

IUPAC[1-(benzotriazol-1-yloxy)cyclopropyl]-phenylmethanone
SMILESO=C(c1ccccc1)C1(On2nnc3ccccc32)CC1
InChIInChI=1S/C16H13N3O2/c20-15(12-6-2-1-3-7-12)16(10-11-16)21-19-14-9-5-4-8-13(14)17-18-19/h1-9H,10-11H2
InChIKeyCRCMTTPCCJIZFH-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.28
Rot. Bonds4

About [1-(benzotriazol-1-yloxy)cyclopropyl]-phenylmethanone

[1-(benzotriazol-1-yloxy)cyclopropyl]-phenylmethanone (PubChem CID 25270363) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is [1-(benzotriazol-1-yloxy)cyclopropyl]-phenylmethanone.

Molecular Properties

Compound Name[1-(benzotriazol-1-yloxy)cyclopropyl]-phenylmethanone
PubChem CID25270363
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name[1-(benzotriazol-1-yloxy)cyclopropyl]-phenylmethanone
SMILESO=C(c1ccccc1)C1(On2nnc3ccccc32)CC1
InChIInChI=1S/C16H13N3O2/c20-15(12-6-2-1-3-7-12)16(10-11-16)21-19-14-9-5-4-8-13(14)17-18-19/h1-9H,10-11H2
InChIKeyCRCMTTPCCJIZFH-UHFFFAOYSA-N
XLogP2.28
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(benzotriazol-1-yloxy)cyclopropyl]-phenylmethanone?
The IUPAC name of [1-(benzotriazol-1-yloxy)cyclopropyl]-phenylmethanone (CID 25270363) is [1-(benzotriazol-1-yloxy)cyclopropyl]-phenylmethanone.
What is the SMILES notation for [1-(benzotriazol-1-yloxy)cyclopropyl]-phenylmethanone?
The canonical SMILES for [1-(benzotriazol-1-yloxy)cyclopropyl]-phenylmethanone is O=C(c1ccccc1)C1(On2nnc3ccccc32)CC1.
What is the InChIKey of [1-(benzotriazol-1-yloxy)cyclopropyl]-phenylmethanone?
The InChIKey is CRCMTTPCCJIZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-15(12-6-2-1-3-7-12)16(10-11-16)21-19-14-9-5-4-8-13(14)17-18-19/h1-9H,10-11H2.
What are the key properties of [1-(benzotriazol-1-yloxy)cyclopropyl]-phenylmethanone?
[1-(benzotriazol-1-yloxy)cyclopropyl]-phenylmethanone has a molecular weight of 279.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzotriazol-1-yloxy)cyclopropyl]-phenylmethanone is sourced from PubChem (CID 25270363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).