(3R)-3-[amino(cyclopropyl)methyl]azepan-2-one

C10H18N2O — CID 68800299

IUPAC(3R)-3-[amino(cyclopropyl)methyl]azepan-2-one
SMILESNC(C1CC1)[C@H]1CCCCNC1=O
InChIInChI=1S/C10H18N2O/c11-9(7-4-5-7)8-3-1-2-6-12-10(8)13/h7-9H,1-6,11H2,(H,12,13)/t8-,9?/m1/s1
InChIKeyLBOGYSBTGREKSR-VEDVMXKPSA-N
MW182.27 g/mol
LogP0.64
Rot. Bonds2

About (3R)-3-[amino(cyclopropyl)methyl]azepan-2-one

(3R)-3-[amino(cyclopropyl)methyl]azepan-2-one (PubChem CID 68800299) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (3R)-3-[amino(cyclopropyl)methyl]azepan-2-one.

Molecular Properties

Compound Name(3R)-3-[amino(cyclopropyl)methyl]azepan-2-one
PubChem CID68800299
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(3R)-3-[amino(cyclopropyl)methyl]azepan-2-one
SMILESNC(C1CC1)[C@H]1CCCCNC1=O
InChIInChI=1S/C10H18N2O/c11-9(7-4-5-7)8-3-1-2-6-12-10(8)13/h7-9H,1-6,11H2,(H,12,13)/t8-,9?/m1/s1
InChIKeyLBOGYSBTGREKSR-VEDVMXKPSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[amino(cyclopropyl)methyl]azepan-2-one?
The IUPAC name of (3R)-3-[amino(cyclopropyl)methyl]azepan-2-one (CID 68800299) is (3R)-3-[amino(cyclopropyl)methyl]azepan-2-one.
What is the SMILES notation for (3R)-3-[amino(cyclopropyl)methyl]azepan-2-one?
The canonical SMILES for (3R)-3-[amino(cyclopropyl)methyl]azepan-2-one is NC(C1CC1)[C@H]1CCCCNC1=O.
What is the InChIKey of (3R)-3-[amino(cyclopropyl)methyl]azepan-2-one?
The InChIKey is LBOGYSBTGREKSR-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H18N2O/c11-9(7-4-5-7)8-3-1-2-6-12-10(8)13/h7-9H,1-6,11H2,(H,12,13)/t8-,9?/m1/s1.
What are the key properties of (3R)-3-[amino(cyclopropyl)methyl]azepan-2-one?
(3R)-3-[amino(cyclopropyl)methyl]azepan-2-one has a molecular weight of 182.27 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[amino(cyclopropyl)methyl]azepan-2-one is sourced from PubChem (CID 68800299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).