carbazol-9-ylmethyl propanoate

C16H15NO2 — CID 122502701

IUPACcarbazol-9-ylmethyl propanoate
SMILESCCC(=O)OCn1c2ccccc2c2ccccc21
InChIInChI=1S/C16H15NO2/c1-2-16(18)19-11-17-14-9-5-3-7-12(14)13-8-4-6-10-15(13)17/h3-10H,2,11H2,1H3
InChIKeyCOVJQJCHRUDFHZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.71
Rot. Bonds3

About carbazol-9-ylmethyl propanoate

carbazol-9-ylmethyl propanoate (PubChem CID 122502701) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is carbazol-9-ylmethyl propanoate.

Molecular Properties

Compound Namecarbazol-9-ylmethyl propanoate
PubChem CID122502701
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Namecarbazol-9-ylmethyl propanoate
SMILESCCC(=O)OCn1c2ccccc2c2ccccc21
InChIInChI=1S/C16H15NO2/c1-2-16(18)19-11-17-14-9-5-3-7-12(14)13-8-4-6-10-15(13)17/h3-10H,2,11H2,1H3
InChIKeyCOVJQJCHRUDFHZ-UHFFFAOYSA-N
XLogP3.71
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of carbazol-9-ylmethyl propanoate?
The IUPAC name of carbazol-9-ylmethyl propanoate (CID 122502701) is carbazol-9-ylmethyl propanoate.
What is the SMILES notation for carbazol-9-ylmethyl propanoate?
The canonical SMILES for carbazol-9-ylmethyl propanoate is CCC(=O)OCn1c2ccccc2c2ccccc21.
What is the InChIKey of carbazol-9-ylmethyl propanoate?
The InChIKey is COVJQJCHRUDFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-2-16(18)19-11-17-14-9-5-3-7-12(14)13-8-4-6-10-15(13)17/h3-10H,2,11H2,1H3.
What are the key properties of carbazol-9-ylmethyl propanoate?
carbazol-9-ylmethyl propanoate has a molecular weight of 253.30 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbazol-9-ylmethyl propanoate is sourced from PubChem (CID 122502701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).