CID 59919931

C12H23N2O2 — CID 59919931

IUPAC—
SMILESCCC1(C)CC(=O)NC(C)C(C)(CC)N1[O]
InChIInChI=1S/C12H23N2O2/c1-6-11(4)8-10(15)13-9(3)12(5,7-2)14(11)16/h9H,6-8H2,1-5H3,(H,13,15)
InChIKeyZVMHWOVLBRJRLB-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.88
Rot. Bonds2

About CID 59919931

CID 59919931 (PubChem CID 59919931) has the molecular formula C12H23N2O2 and a molecular weight of 227.33 g/mol.

Molecular Properties

Compound NameCID 59919931
PubChem CID59919931
Molecular FormulaC12H23N2O2
Molecular Weight227.33 g/mol
Exact Mass227.18
IUPAC Name—
SMILESCCC1(C)CC(=O)NC(C)C(C)(CC)N1[O]
InChIInChI=1S/C12H23N2O2/c1-6-11(4)8-10(15)13-9(3)12(5,7-2)14(11)16/h9H,6-8H2,1-5H3,(H,13,15)
InChIKeyZVMHWOVLBRJRLB-UHFFFAOYSA-N
XLogP1.88
TPSA52.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59919931?
The IUPAC name of CID 59919931 (CID 59919931) is not available.
What is the SMILES notation for CID 59919931?
The canonical SMILES for CID 59919931 is CCC1(C)CC(=O)NC(C)C(C)(CC)N1[O].
What is the InChIKey of CID 59919931?
The InChIKey is ZVMHWOVLBRJRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N2O2/c1-6-11(4)8-10(15)13-9(3)12(5,7-2)14(11)16/h9H,6-8H2,1-5H3,(H,13,15).
What are the key properties of CID 59919931?
CID 59919931 has a molecular weight of 227.33 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59919931 is sourced from PubChem (CID 59919931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).