(3-amino-2-bicyclo[2.2.1]heptanyl)-(1-ethylimidazol-2-yl)methanone

C13H19N3O — CID 116580834

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-(1-ethylimidazol-2-yl)methanone
SMILESCCn1ccnc1C(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C13H19N3O/c1-2-16-6-5-15-13(16)12(17)10-8-3-4-9(7-8)11(10)14/h5-6,8-11H,2-4,7,14H2,1H3
InChIKeyYINRSMGMOVDLCQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.46
Rot. Bonds3

About (3-amino-2-bicyclo[2.2.1]heptanyl)-(1-ethylimidazol-2-yl)methanone

(3-amino-2-bicyclo[2.2.1]heptanyl)-(1-ethylimidazol-2-yl)methanone (PubChem CID 116580834) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-(1-ethylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-(1-ethylimidazol-2-yl)methanone
PubChem CID116580834
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-(1-ethylimidazol-2-yl)methanone
SMILESCCn1ccnc1C(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C13H19N3O/c1-2-16-6-5-15-13(16)12(17)10-8-3-4-9(7-8)11(10)14/h5-6,8-11H,2-4,7,14H2,1H3
InChIKeyYINRSMGMOVDLCQ-UHFFFAOYSA-N
XLogP1.46
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-2-yl)methanone
CID 114973016
3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119892617
(1-ethylimidazol-2-yl)-(2-methyloxolan-3-yl)methanone
CID 114973031
(2,2-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone
CID 107186966
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-ethylimidazol-2-yl)ethanone
CID 116588362
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024
(1-ethylcyclopentyl)-(1-ethylimidazol-2-yl)methanone
CID 114973020
3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one
CID 114973036
(1-ethylimidazol-2-yl)-morpholin-3-ylmethanone
CID 116576330
1-(1-ethylimidazol-2-yl)prop-2-en-1-one
CID 103453576
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783536
[4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
CID 116548266

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-(1-ethylimidazol-2-yl)methanone?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-(1-ethylimidazol-2-yl)methanone (CID 116580834) is (3-amino-2-bicyclo[2.2.1]heptanyl)-(1-ethylimidazol-2-yl)methanone.
What is the SMILES notation for (3-amino-2-bicyclo[2.2.1]heptanyl)-(1-ethylimidazol-2-yl)methanone?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-(1-ethylimidazol-2-yl)methanone is CCn1ccnc1C(=O)C1C2CCC(C2)C1N.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-(1-ethylimidazol-2-yl)methanone?
The InChIKey is YINRSMGMOVDLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-16-6-5-15-13(16)12(17)10-8-3-4-9(7-8)11(10)14/h5-6,8-11H,2-4,7,14H2,1H3.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-(1-ethylimidazol-2-yl)methanone?
(3-amino-2-bicyclo[2.2.1]heptanyl)-(1-ethylimidazol-2-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-bicyclo[2.2.1]heptanyl)-(1-ethylimidazol-2-yl)methanone is sourced from PubChem (CID 116580834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).