1-cyclopropyl-1,4-diazepan-5-one

C8H14N2O — CID 71755456

IUPAC1-cyclopropyl-1,4-diazepan-5-one
SMILESO=C1CCN(C2CC2)CCN1
InChIInChI=1S/C8H14N2O/c11-8-3-5-10(6-4-9-8)7-1-2-7/h7H,1-6H2,(H,9,11)
InChIKeySERFALWWEPVOSQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.03
Rot. Bonds1

About 1-cyclopropyl-1,4-diazepan-5-one

1-cyclopropyl-1,4-diazepan-5-one (PubChem CID 71755456) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-cyclopropyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-cyclopropyl-1,4-diazepan-5-one
PubChem CID71755456
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-cyclopropyl-1,4-diazepan-5-one
SMILESO=C1CCN(C2CC2)CCN1
InChIInChI=1S/C8H14N2O/c11-8-3-5-10(6-4-9-8)7-1-2-7/h7H,1-6H2,(H,9,11)
InChIKeySERFALWWEPVOSQ-UHFFFAOYSA-N
XLogP-0.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1,4-diazepan-5-one?
The IUPAC name of 1-cyclopropyl-1,4-diazepan-5-one (CID 71755456) is 1-cyclopropyl-1,4-diazepan-5-one.
What is the SMILES notation for 1-cyclopropyl-1,4-diazepan-5-one?
The canonical SMILES for 1-cyclopropyl-1,4-diazepan-5-one is O=C1CCN(C2CC2)CCN1.
What is the InChIKey of 1-cyclopropyl-1,4-diazepan-5-one?
The InChIKey is SERFALWWEPVOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c11-8-3-5-10(6-4-9-8)7-1-2-7/h7H,1-6H2,(H,9,11).
What are the key properties of 1-cyclopropyl-1,4-diazepan-5-one?
1-cyclopropyl-1,4-diazepan-5-one has a molecular weight of 154.21 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1,4-diazepan-5-one is sourced from PubChem (CID 71755456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).