1-[5-(aminomethyl)furan-2-yl]-1,4-diazepan-5-one

C10H15N3O2 — CID 82507761

IUPAC1-[5-(aminomethyl)furan-2-yl]-1,4-diazepan-5-one
SMILESNCc1ccc(N2CCNC(=O)CC2)o1
InChIInChI=1S/C10H15N3O2/c11-7-8-1-2-10(15-8)13-5-3-9(14)12-4-6-13/h1-2H,3-7,11H2,(H,12,14)
InChIKeyZUTIQXGNBMDGKV-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.06
Rot. Bonds2

About 1-[5-(aminomethyl)furan-2-yl]-1,4-diazepan-5-one

1-[5-(aminomethyl)furan-2-yl]-1,4-diazepan-5-one (PubChem CID 82507761) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[5-(aminomethyl)furan-2-yl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[5-(aminomethyl)furan-2-yl]-1,4-diazepan-5-one
PubChem CID82507761
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-[5-(aminomethyl)furan-2-yl]-1,4-diazepan-5-one
SMILESNCc1ccc(N2CCNC(=O)CC2)o1
InChIInChI=1S/C10H15N3O2/c11-7-8-1-2-10(15-8)13-5-3-9(14)12-4-6-13/h1-2H,3-7,11H2,(H,12,14)
InChIKeyZUTIQXGNBMDGKV-UHFFFAOYSA-N
XLogP0.06
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)furan-2-yl]-1,4-diazepan-5-one?
The IUPAC name of 1-[5-(aminomethyl)furan-2-yl]-1,4-diazepan-5-one (CID 82507761) is 1-[5-(aminomethyl)furan-2-yl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-[5-(aminomethyl)furan-2-yl]-1,4-diazepan-5-one?
The canonical SMILES for 1-[5-(aminomethyl)furan-2-yl]-1,4-diazepan-5-one is NCc1ccc(N2CCNC(=O)CC2)o1.
What is the InChIKey of 1-[5-(aminomethyl)furan-2-yl]-1,4-diazepan-5-one?
The InChIKey is ZUTIQXGNBMDGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-7-8-1-2-10(15-8)13-5-3-9(14)12-4-6-13/h1-2H,3-7,11H2,(H,12,14).
What are the key properties of 1-[5-(aminomethyl)furan-2-yl]-1,4-diazepan-5-one?
1-[5-(aminomethyl)furan-2-yl]-1,4-diazepan-5-one has a molecular weight of 209.25 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)furan-2-yl]-1,4-diazepan-5-one is sourced from PubChem (CID 82507761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).