1-propan-2-yl-7-propan-2-ylidene-1,3-diazepan-2-one

C11H20N2O — CID 90244249

IUPAC1-propan-2-yl-7-propan-2-ylidene-1,3-diazepan-2-one
SMILESCC(C)=C1CCCNC(=O)N1C(C)C
InChIInChI=1S/C11H20N2O/c1-8(2)10-6-5-7-12-11(14)13(10)9(3)4/h9H,5-7H2,1-4H3,(H,12,14)
InChIKeyOFCSIFVLZOGOPJ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.49
Rot. Bonds1

About 1-propan-2-yl-7-propan-2-ylidene-1,3-diazepan-2-one

1-propan-2-yl-7-propan-2-ylidene-1,3-diazepan-2-one (PubChem CID 90244249) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-propan-2-yl-7-propan-2-ylidene-1,3-diazepan-2-one.

Molecular Properties

Compound Name1-propan-2-yl-7-propan-2-ylidene-1,3-diazepan-2-one
PubChem CID90244249
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-propan-2-yl-7-propan-2-ylidene-1,3-diazepan-2-one
SMILESCC(C)=C1CCCNC(=O)N1C(C)C
InChIInChI=1S/C11H20N2O/c1-8(2)10-6-5-7-12-11(14)13(10)9(3)4/h9H,5-7H2,1-4H3,(H,12,14)
InChIKeyOFCSIFVLZOGOPJ-UHFFFAOYSA-N
XLogP2.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-7-propan-2-ylidene-1,3-diazepan-2-one?
The IUPAC name of 1-propan-2-yl-7-propan-2-ylidene-1,3-diazepan-2-one (CID 90244249) is 1-propan-2-yl-7-propan-2-ylidene-1,3-diazepan-2-one.
What is the SMILES notation for 1-propan-2-yl-7-propan-2-ylidene-1,3-diazepan-2-one?
The canonical SMILES for 1-propan-2-yl-7-propan-2-ylidene-1,3-diazepan-2-one is CC(C)=C1CCCNC(=O)N1C(C)C.
What is the InChIKey of 1-propan-2-yl-7-propan-2-ylidene-1,3-diazepan-2-one?
The InChIKey is OFCSIFVLZOGOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(2)10-6-5-7-12-11(14)13(10)9(3)4/h9H,5-7H2,1-4H3,(H,12,14).
What are the key properties of 1-propan-2-yl-7-propan-2-ylidene-1,3-diazepan-2-one?
1-propan-2-yl-7-propan-2-ylidene-1,3-diazepan-2-one has a molecular weight of 196.29 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-7-propan-2-ylidene-1,3-diazepan-2-one is sourced from PubChem (CID 90244249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).