CID 11585945

C11H17N3O — CID 11585945

IUPAC—
SMILESCC(C)N1[C]N(C(=O)N2CCCC2)C=C1
InChIInChI=1S/C11H17N3O/c1-10(2)13-7-8-14(9-13)11(15)12-5-3-4-6-12/h7-8,10H,3-6H2,1-2H3
InChIKeyZNYMQPORAIUDRM-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.70
Rot. Bonds1

About CID 11585945

CID 11585945 (PubChem CID 11585945) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol.

Molecular Properties

Compound NameCID 11585945
PubChem CID11585945
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name—
SMILESCC(C)N1[C]N(C(=O)N2CCCC2)C=C1
InChIInChI=1S/C11H17N3O/c1-10(2)13-7-8-14(9-13)11(15)12-5-3-4-6-12/h7-8,10H,3-6H2,1-2H3
InChIKeyZNYMQPORAIUDRM-UHFFFAOYSA-N
XLogP1.70
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 11585945?
The IUPAC name of CID 11585945 (CID 11585945) is not available.
What is the SMILES notation for CID 11585945?
The canonical SMILES for CID 11585945 is CC(C)N1[C]N(C(=O)N2CCCC2)C=C1.
What is the InChIKey of CID 11585945?
The InChIKey is ZNYMQPORAIUDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-10(2)13-7-8-14(9-13)11(15)12-5-3-4-6-12/h7-8,10H,3-6H2,1-2H3.
What are the key properties of CID 11585945?
CID 11585945 has a molecular weight of 207.28 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11585945 is sourced from PubChem (CID 11585945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).