CID 10585402

C11H19N2O3 — CID 10585402

IUPAC—
SMILESCC1(C)C=C(C(=O)NCCO)C(C)(C)N1[O]
InChIInChI=1S/C11H19N2O3/c1-10(2)7-8(9(15)12-5-6-14)11(3,4)13(10)16/h7,14H,5-6H2,1-4H3,(H,12,15)
InChIKeyJJDNMQIDQDXCFC-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.24
Rot. Bonds3

About CID 10585402

CID 10585402 (PubChem CID 10585402) has the molecular formula C11H19N2O3 and a molecular weight of 227.28 g/mol.

Molecular Properties

Compound NameCID 10585402
PubChem CID10585402
Molecular FormulaC11H19N2O3
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name—
SMILESCC1(C)C=C(C(=O)NCCO)C(C)(C)N1[O]
InChIInChI=1S/C11H19N2O3/c1-10(2)7-8(9(15)12-5-6-14)11(3,4)13(10)16/h7,14H,5-6H2,1-4H3,(H,12,15)
InChIKeyJJDNMQIDQDXCFC-UHFFFAOYSA-N
XLogP0.24
TPSA72.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 10585402?
The IUPAC name of CID 10585402 (CID 10585402) is not available.
What is the SMILES notation for CID 10585402?
The canonical SMILES for CID 10585402 is CC1(C)C=C(C(=O)NCCO)C(C)(C)N1[O].
What is the InChIKey of CID 10585402?
The InChIKey is JJDNMQIDQDXCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N2O3/c1-10(2)7-8(9(15)12-5-6-14)11(3,4)13(10)16/h7,14H,5-6H2,1-4H3,(H,12,15).
What are the key properties of CID 10585402?
CID 10585402 has a molecular weight of 227.28 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10585402 is sourced from PubChem (CID 10585402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).