[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-(4-ethylphenyl)methanone

C14H18N2O — CID 121451763

IUPAC[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2C[C@H]3CN[C@H]3C2)cc1
InChIInChI=1S/C14H18N2O/c1-2-10-3-5-11(6-4-10)14(17)16-8-12-7-15-13(12)9-16/h3-6,12-13,15H,2,7-9H2,1H3/t12-,13+/m1/s1
InChIKeyOFZUOXMZZYBHQD-OLZOCXBDSA-N
MW230.31 g/mol
LogP1.29
Rot. Bonds2

About [(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-(4-ethylphenyl)methanone

[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-(4-ethylphenyl)methanone (PubChem CID 121451763) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is [(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-(4-ethylphenyl)methanone
PubChem CID121451763
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2C[C@H]3CN[C@H]3C2)cc1
InChIInChI=1S/C14H18N2O/c1-2-10-3-5-11(6-4-10)14(17)16-8-12-7-15-13(12)9-16/h3-6,12-13,15H,2,7-9H2,1H3/t12-,13+/m1/s1
InChIKeyOFZUOXMZZYBHQD-OLZOCXBDSA-N
XLogP1.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(4-ethylphenyl)methanone
CID 74881662
[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-(4-methylphenyl)methanone
CID 130315831
(4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426419
[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(4-ethylphenyl)methanone
CID 43596222
2-[1-(4-ethylbenzoyl)azetidin-3-yl]propanoic acid
CID 116681101
(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259247
(3-azidoazetidin-1-yl)-(4-ethylphenyl)methanone
CID 121200689
(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999698
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(4-methylphenyl)methanone
CID 102679912
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 120656789
(3aR,7S,7aR)-2-(4-ethylbenzoyl)-N-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
CID 97362617
N-[[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]methyl]ethanesulfonamide;hydrochloride
CID 120659487

Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-(4-ethylphenyl)methanone?
The IUPAC name of [(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-(4-ethylphenyl)methanone (CID 121451763) is [(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-(4-ethylphenyl)methanone.
What is the SMILES notation for [(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-(4-ethylphenyl)methanone?
The canonical SMILES for [(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-(4-ethylphenyl)methanone is CCc1ccc(C(=O)N2C[C@H]3CN[C@H]3C2)cc1.
What is the InChIKey of [(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-(4-ethylphenyl)methanone?
The InChIKey is OFZUOXMZZYBHQD-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-10-3-5-11(6-4-10)14(17)16-8-12-7-15-13(12)9-16/h3-6,12-13,15H,2,7-9H2,1H3/t12-,13+/m1/s1.
What are the key properties of [(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-(4-ethylphenyl)methanone?
[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-(4-ethylphenyl)methanone has a molecular weight of 230.31 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-(4-ethylphenyl)methanone is sourced from PubChem (CID 121451763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).