CID 101205767

C15H18NO4 — CID 101205767

IUPAC—
SMILESCC1(C)N([O])C(C)(C)[C@]2(c3ccccc3)O[C@]12C(=O)O
InChIInChI=1S/C15H18NO4/c1-12(2)14(10-8-6-5-7-9-10)15(20-14,11(17)18)13(3,4)16(12)19/h5-9H,1-4H3,(H,17,18)/t14-,15+/m0/s1
InChIKeyHTPZNDUBFPAUIE-LSDHHAIUSA-N
MW276.31 g/mol
LogP1.95
Rot. Bonds2

About CID 101205767

CID 101205767 (PubChem CID 101205767) has the molecular formula C15H18NO4 and a molecular weight of 276.31 g/mol.

Molecular Properties

Compound NameCID 101205767
PubChem CID101205767
Molecular FormulaC15H18NO4
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name—
SMILESCC1(C)N([O])C(C)(C)[C@]2(c3ccccc3)O[C@]12C(=O)O
InChIInChI=1S/C15H18NO4/c1-12(2)14(10-8-6-5-7-9-10)15(20-14,11(17)18)13(3,4)16(12)19/h5-9H,1-4H3,(H,17,18)/t14-,15+/m0/s1
InChIKeyHTPZNDUBFPAUIE-LSDHHAIUSA-N
XLogP1.95
TPSA72.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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(2-methyl-3,3-diphenyloxiran-2-yl)-phenylmethanone
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[(2R)-2-methyl-3,3-diphenyloxiran-2-yl]-phenylmethanone
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2-phenylimidazole-2-carboxylic acid
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(2,2,3-trimethyl-4,4-diphenyloxetan-3-yl)methanol
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(5R)-2,2,5-trimethyl-5-phenylfuran
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hydroxy(trimethyl)silane;phthalic acid
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Frequently Asked Questions

What is the IUPAC name of CID 101205767?
The IUPAC name of CID 101205767 (CID 101205767) is not available.
What is the SMILES notation for CID 101205767?
The canonical SMILES for CID 101205767 is CC1(C)N([O])C(C)(C)[C@]2(c3ccccc3)O[C@]12C(=O)O.
What is the InChIKey of CID 101205767?
The InChIKey is HTPZNDUBFPAUIE-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H18NO4/c1-12(2)14(10-8-6-5-7-9-10)15(20-14,11(17)18)13(3,4)16(12)19/h5-9H,1-4H3,(H,17,18)/t14-,15+/m0/s1.
What are the key properties of CID 101205767?
CID 101205767 has a molecular weight of 276.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101205767 is sourced from PubChem (CID 101205767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).