CID 24987750

C19H31NO3 — CID 24987750

IUPAC—
SMILESNCCCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H31NO3/c20-7-1-2-13-3-5-18(6-4-13)21-19(23-22-18)16-9-14-8-15(11-16)12-17(19)10-14/h13-17H,1-12,20H2
InChIKeyLPCWNWROXJWIFO-UHFFFAOYSA-N
MW321.46 g/mol
LogP3.74
Rot. Bonds3

About CID 24987750

CID 24987750 (PubChem CID 24987750) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol.

Molecular Properties

Compound NameCID 24987750
PubChem CID24987750
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name—
SMILESNCCCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H31NO3/c20-7-1-2-13-3-5-18(6-4-13)21-19(23-22-18)16-9-14-8-15(11-16)12-17(19)10-14/h13-17H,1-12,20H2
InChIKeyLPCWNWROXJWIFO-UHFFFAOYSA-N
XLogP3.74
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 24987750?
The IUPAC name of CID 24987750 (CID 24987750) is not available.
What is the SMILES notation for CID 24987750?
The canonical SMILES for CID 24987750 is NCCCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 24987750?
The InChIKey is LPCWNWROXJWIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c20-7-1-2-13-3-5-18(6-4-13)21-19(23-22-18)16-9-14-8-15(11-16)12-17(19)10-14/h13-17H,1-12,20H2.
What are the key properties of CID 24987750?
CID 24987750 has a molecular weight of 321.46 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24987750 is sourced from PubChem (CID 24987750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).