CID 100937374

C16H20NO2 — CID 100937374

IUPAC—
SMILESCC1(C)CCC(C)(/C=C/C(=O)c2ccccc2)N1[O]
InChIInChI=1S/C16H20NO2/c1-15(2)11-12-16(3,17(15)19)10-9-14(18)13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3/b10-9+
InChIKeyVQUHSRBRVZSRLY-MDZDMXLPSA-N
MW258.34 g/mol
LogP3.40
Rot. Bonds3

About CID 100937374

CID 100937374 (PubChem CID 100937374) has the molecular formula C16H20NO2 and a molecular weight of 258.34 g/mol.

Molecular Properties

Compound NameCID 100937374
PubChem CID100937374
Molecular FormulaC16H20NO2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name—
SMILESCC1(C)CCC(C)(/C=C/C(=O)c2ccccc2)N1[O]
InChIInChI=1S/C16H20NO2/c1-15(2)11-12-16(3,17(15)19)10-9-14(18)13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3/b10-9+
InChIKeyVQUHSRBRVZSRLY-MDZDMXLPSA-N
XLogP3.40
TPSA40.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 100937374?
The IUPAC name of CID 100937374 (CID 100937374) is not available.
What is the SMILES notation for CID 100937374?
The canonical SMILES for CID 100937374 is CC1(C)CCC(C)(/C=C/C(=O)c2ccccc2)N1[O].
What is the InChIKey of CID 100937374?
The InChIKey is VQUHSRBRVZSRLY-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H20NO2/c1-15(2)11-12-16(3,17(15)19)10-9-14(18)13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3/b10-9+.
What are the key properties of CID 100937374?
CID 100937374 has a molecular weight of 258.34 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100937374 is sourced from PubChem (CID 100937374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).