4-(2-hydroxyethyl)-1,4-diazepan-2-one

C7H14N2O2 — CID 14574145

IUPAC4-(2-hydroxyethyl)-1,4-diazepan-2-one
SMILESO=C1CN(CCO)CCCN1
InChIInChI=1S/C7H14N2O2/c10-5-4-9-3-1-2-8-7(11)6-9/h10H,1-6H2,(H,8,11)
InChIKeyJUSIXMQXCRDUIA-UHFFFAOYSA-N
MW158.20 g/mol
LogP-1.20
Rot. Bonds2

About 4-(2-hydroxyethyl)-1,4-diazepan-2-one

4-(2-hydroxyethyl)-1,4-diazepan-2-one (PubChem CID 14574145) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1,4-diazepan-2-one
PubChem CID14574145
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name4-(2-hydroxyethyl)-1,4-diazepan-2-one
SMILESO=C1CN(CCO)CCCN1
InChIInChI=1S/C7H14N2O2/c10-5-4-9-3-1-2-8-7(11)6-9/h10H,1-6H2,(H,8,11)
InChIKeyJUSIXMQXCRDUIA-UHFFFAOYSA-N
XLogP-1.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-1,4-diazepan-2-one?
The IUPAC name of 4-(2-hydroxyethyl)-1,4-diazepan-2-one (CID 14574145) is 4-(2-hydroxyethyl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(2-hydroxyethyl)-1,4-diazepan-2-one is O=C1CN(CCO)CCCN1.
What is the InChIKey of 4-(2-hydroxyethyl)-1,4-diazepan-2-one?
The InChIKey is JUSIXMQXCRDUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c10-5-4-9-3-1-2-8-7(11)6-9/h10H,1-6H2,(H,8,11).
What are the key properties of 4-(2-hydroxyethyl)-1,4-diazepan-2-one?
4-(2-hydroxyethyl)-1,4-diazepan-2-one has a molecular weight of 158.20 g/mol, XLogP of -1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1,4-diazepan-2-one is sourced from PubChem (CID 14574145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).