4-(3-hydroxybutylamino)azepan-2-one

C10H20N2O2 — CID 64911243

IUPAC4-(3-hydroxybutylamino)azepan-2-one
SMILESCC(O)CCNC1CCCNC(=O)C1
InChIInChI=1S/C10H20N2O2/c1-8(13)4-6-11-9-3-2-5-12-10(14)7-9/h8-9,11,13H,2-7H2,1H3,(H,12,14)
InChIKeyXCBOIHXSQMPQOB-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.02
Rot. Bonds4

About 4-(3-hydroxybutylamino)azepan-2-one

4-(3-hydroxybutylamino)azepan-2-one (PubChem CID 64911243) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-(3-hydroxybutylamino)azepan-2-one.

Molecular Properties

Compound Name4-(3-hydroxybutylamino)azepan-2-one
PubChem CID64911243
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-(3-hydroxybutylamino)azepan-2-one
SMILESCC(O)CCNC1CCCNC(=O)C1
InChIInChI=1S/C10H20N2O2/c1-8(13)4-6-11-9-3-2-5-12-10(14)7-9/h8-9,11,13H,2-7H2,1H3,(H,12,14)
InChIKeyXCBOIHXSQMPQOB-UHFFFAOYSA-N
XLogP0.02
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxybutylamino)azepan-2-one?
The IUPAC name of 4-(3-hydroxybutylamino)azepan-2-one (CID 64911243) is 4-(3-hydroxybutylamino)azepan-2-one.
What is the SMILES notation for 4-(3-hydroxybutylamino)azepan-2-one?
The canonical SMILES for 4-(3-hydroxybutylamino)azepan-2-one is CC(O)CCNC1CCCNC(=O)C1.
What is the InChIKey of 4-(3-hydroxybutylamino)azepan-2-one?
The InChIKey is XCBOIHXSQMPQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(13)4-6-11-9-3-2-5-12-10(14)7-9/h8-9,11,13H,2-7H2,1H3,(H,12,14).
What are the key properties of 4-(3-hydroxybutylamino)azepan-2-one?
4-(3-hydroxybutylamino)azepan-2-one has a molecular weight of 200.28 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxybutylamino)azepan-2-one is sourced from PubChem (CID 64911243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).