cyclopropyl-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone

C11H18N2O — CID 89047178

IUPACcyclopropyl-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
SMILESCN1CC2CCC(C1)N2C(=O)C1CC1
InChIInChI=1S/C11H18N2O/c1-12-6-9-4-5-10(7-12)13(9)11(14)8-2-3-8/h8-10H,2-7H2,1H3
InChIKeyHEHBGBSEAPTDQE-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.70
Rot. Bonds1

About cyclopropyl-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone

cyclopropyl-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 89047178) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is cyclopropyl-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID89047178
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Namecyclopropyl-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
SMILESCN1CC2CCC(C1)N2C(=O)C1CC1
InChIInChI=1S/C11H18N2O/c1-12-6-9-4-5-10(7-12)13(9)11(14)8-2-3-8/h8-10H,2-7H2,1H3
InChIKeyHEHBGBSEAPTDQE-UHFFFAOYSA-N
XLogP0.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of cyclopropyl-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (CID 89047178) is cyclopropyl-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for cyclopropyl-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for cyclopropyl-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone is CN1CC2CCC(C1)N2C(=O)C1CC1.
What is the InChIKey of cyclopropyl-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is HEHBGBSEAPTDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-12-6-9-4-5-10(7-12)13(9)11(14)8-2-3-8/h8-10H,2-7H2,1H3.
What are the key properties of cyclopropyl-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
cyclopropyl-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 194.28 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 89047178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).