CID 58544115

C7H12NO2 — CID 58544115

IUPAC—
SMILES[CH2]OC(C)(C)C1=NOCC1
InChIInChI=1S/C7H12NO2/c1-7(2,9-3)6-4-5-10-8-6/h3-5H2,1-2H3
InChIKeyNNLBFQHPKMBIAD-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.35
Rot. Bonds2

About CID 58544115

CID 58544115 (PubChem CID 58544115) has the molecular formula C7H12NO2 and a molecular weight of 142.18 g/mol.

Molecular Properties

Compound NameCID 58544115
PubChem CID58544115
Molecular FormulaC7H12NO2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name—
SMILES[CH2]OC(C)(C)C1=NOCC1
InChIInChI=1S/C7H12NO2/c1-7(2,9-3)6-4-5-10-8-6/h3-5H2,1-2H3
InChIKeyNNLBFQHPKMBIAD-UHFFFAOYSA-N
XLogP1.35
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58544115?
The IUPAC name of CID 58544115 (CID 58544115) is not available.
What is the SMILES notation for CID 58544115?
The canonical SMILES for CID 58544115 is [CH2]OC(C)(C)C1=NOCC1.
What is the InChIKey of CID 58544115?
The InChIKey is NNLBFQHPKMBIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12NO2/c1-7(2,9-3)6-4-5-10-8-6/h3-5H2,1-2H3.
What are the key properties of CID 58544115?
CID 58544115 has a molecular weight of 142.18 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58544115 is sourced from PubChem (CID 58544115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).