(2-chlorophenyl)-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone

C18H23ClN2O — CID 133114270

About (2-chlorophenyl)-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone

(2-chlorophenyl)-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone (PubChem CID 133114270) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is (2-chlorophenyl)-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone.

Molecular Properties

• Compound Name: (2-chlorophenyl)-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
• PubChem CID: 133114270
• Molecular Formula: C18H23ClN2O
• Molecular Weight: 318.85 g/mol
• Exact Mass: 318.15
• IUPAC Name: (2-chlorophenyl)-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
• SMILES: O=C(c1ccccc1Cl)N1C[C@H]2CC[C@@H](C1)N(CC1CC1)C2
• InChI: InChI=1S/C18H23ClN2O/c19-17-4-2-1-3-16(17)18(22)21-11-14-7-8-15(12-21)20(10-14)9-13-5-6-13/h1-4,13-15H,5-12H2/t14-,15-/m0/s1
• InChIKey: SODWLUWMTUPLEB-GJZGRUSLSA-N
• XLogP: 3.29
• TPSA: 23.55 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.85
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?

The IUPAC name of (2-chlorophenyl)-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone (CID 133114270) is (2-chlorophenyl)-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone.

What is the SMILES notation for (2-chlorophenyl)-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?

The canonical SMILES for (2-chlorophenyl)-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone is O=C(c1ccccc1Cl)N1C[C@H]2CC[C@@H](C1)N(CC1CC1)C2.

What is the InChIKey of (2-chlorophenyl)-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?

The InChIKey is SODWLUWMTUPLEB-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H23ClN2O/c19-17-4-2-1-3-16(17)18(22)21-11-14-7-8-15(12-21)20(10-14)9-13-5-6-13/h1-4,13-15H,5-12H2/t14-,15-/m0/s1.

What are the key properties of (2-chlorophenyl)-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?

(2-chlorophenyl)-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone has a molecular weight of 318.85 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2-chlorophenyl)-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone is sourced from PubChem (CID 133114270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).