1-(aminomethyl)-4-ethyl-5,7-dimethyl-6-oxa-2,7-diazabicyclo[3.2.0]heptan-3-one

C9H17N3O2 — CID 143323762

IUPAC1-(aminomethyl)-4-ethyl-5,7-dimethyl-6-oxa-2,7-diazabicyclo[3.2.0]heptan-3-one
SMILESCCC1C(=O)NC2(CN)N(C)OC12C
InChIInChI=1S/C9H17N3O2/c1-4-6-7(13)11-9(5-10)8(6,2)14-12(9)3/h6H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyBFBHENJYEDYVDO-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.57
Rot. Bonds2

About 1-(aminomethyl)-4-ethyl-5,7-dimethyl-6-oxa-2,7-diazabicyclo[3.2.0]heptan-3-one

1-(aminomethyl)-4-ethyl-5,7-dimethyl-6-oxa-2,7-diazabicyclo[3.2.0]heptan-3-one (PubChem CID 143323762) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(aminomethyl)-4-ethyl-5,7-dimethyl-6-oxa-2,7-diazabicyclo[3.2.0]heptan-3-one.

Molecular Properties

Compound Name1-(aminomethyl)-4-ethyl-5,7-dimethyl-6-oxa-2,7-diazabicyclo[3.2.0]heptan-3-one
PubChem CID143323762
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name1-(aminomethyl)-4-ethyl-5,7-dimethyl-6-oxa-2,7-diazabicyclo[3.2.0]heptan-3-one
SMILESCCC1C(=O)NC2(CN)N(C)OC12C
InChIInChI=1S/C9H17N3O2/c1-4-6-7(13)11-9(5-10)8(6,2)14-12(9)3/h6H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyBFBHENJYEDYVDO-UHFFFAOYSA-N
XLogP-0.57
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(aminomethyl)-4-ethyl-5,7-dimethyl-6-oxa-2,7-diazabicyclo[3.2.0]heptan-3-one with MolForge

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Related Compounds

4-ethyl-5-methyl-1-[(E)-prop-1-enyl]-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 143575952
4-ethyl-3,3-dimethylpyrrolidine-2,5-dione
CID 523535
2-[(4-ethyl-5-methyl-3,7-dioxo-6-oxa-2-azabicyclo[3.2.0]heptan-1-yl)-hydroxymethyl]hexanedial
CID 89320486
1-methyl-5-sulfanylimidazolidine-2,4-dione;propane
CID 174538671
(1S,4S,5R)-1-[[(1R)-cyclohex-2-en-1-yl]-hydroxymethyl]-4-ethyl-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 58112203
1,4,4-trimethyl-5-propylimidazolidin-2-one
CID 123476601
(1S,4R,5S)-1-[cyclohexa-1,5-dien-1-yl(hydroxy)methyl]-4-ethyl-5,7-dimethyl-6-oxa-2-azabicyclo[3.2.0]heptan-3-one;methyl hypofluorite
CID 143198106
ethane;3-ethyl-5,5-dimethylpyrrolidin-2-one
CID 167482044
4-(aminomethyl)-4,5-dimethylimidazolidin-2-one
CID 163622991
6-cyclopropyl-3-ethyl-1-methylpiperazine-2,5-dione
CID 64903767
2-chloro-4-ethyl-3,3-dimethylcyclobutan-1-one
CID 21431849
6-ethyl-3,3-dimethyl-1-octylpiperazine-2,5-dione
CID 64873815

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-ethyl-5,7-dimethyl-6-oxa-2,7-diazabicyclo[3.2.0]heptan-3-one?
The IUPAC name of 1-(aminomethyl)-4-ethyl-5,7-dimethyl-6-oxa-2,7-diazabicyclo[3.2.0]heptan-3-one (CID 143323762) is 1-(aminomethyl)-4-ethyl-5,7-dimethyl-6-oxa-2,7-diazabicyclo[3.2.0]heptan-3-one.
What is the SMILES notation for 1-(aminomethyl)-4-ethyl-5,7-dimethyl-6-oxa-2,7-diazabicyclo[3.2.0]heptan-3-one?
The canonical SMILES for 1-(aminomethyl)-4-ethyl-5,7-dimethyl-6-oxa-2,7-diazabicyclo[3.2.0]heptan-3-one is CCC1C(=O)NC2(CN)N(C)OC12C.
What is the InChIKey of 1-(aminomethyl)-4-ethyl-5,7-dimethyl-6-oxa-2,7-diazabicyclo[3.2.0]heptan-3-one?
The InChIKey is BFBHENJYEDYVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-4-6-7(13)11-9(5-10)8(6,2)14-12(9)3/h6H,4-5,10H2,1-3H3,(H,11,13).
What are the key properties of 1-(aminomethyl)-4-ethyl-5,7-dimethyl-6-oxa-2,7-diazabicyclo[3.2.0]heptan-3-one?
1-(aminomethyl)-4-ethyl-5,7-dimethyl-6-oxa-2,7-diazabicyclo[3.2.0]heptan-3-one has a molecular weight of 199.25 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-ethyl-5,7-dimethyl-6-oxa-2,7-diazabicyclo[3.2.0]heptan-3-one is sourced from PubChem (CID 143323762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).