[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1-propan-2-ylpyrrol-2-yl)methanone

C19H29N3O — CID 70782281

IUPAC[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
SMILESCC(C)n1cccc1C(=O)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2
InChIInChI=1S/C19H29N3O/c1-14(2)22-9-3-4-18(22)19(23)21-12-16-7-8-17(13-21)20(11-16)10-15-5-6-15/h3-4,9,14-17H,5-8,10-13H2,1-2H3/t16-,17-/m1/s1
InChIKeyLHJYINQWPOWCAO-IAGOWNOFSA-N
MW315.46 g/mol
LogP3.02
Rot. Bonds4

About [(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1-propan-2-ylpyrrol-2-yl)methanone

[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1-propan-2-ylpyrrol-2-yl)methanone (PubChem CID 70782281) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is [(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1-propan-2-ylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
PubChem CID70782281
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
SMILESCC(C)n1cccc1C(=O)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2
InChIInChI=1S/C19H29N3O/c1-14(2)22-9-3-4-18(22)19(23)21-12-16-7-8-17(13-21)20(11-16)10-15-5-6-15/h3-4,9,14-17H,5-8,10-13H2,1-2H3/t16-,17-/m1/s1
InChIKeyLHJYINQWPOWCAO-IAGOWNOFSA-N
XLogP3.02
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1-propan-2-ylpyrrol-2-yl)methanone?
The IUPAC name of [(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1-propan-2-ylpyrrol-2-yl)methanone (CID 70782281) is [(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1-propan-2-ylpyrrol-2-yl)methanone.
What is the SMILES notation for [(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1-propan-2-ylpyrrol-2-yl)methanone?
The canonical SMILES for [(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1-propan-2-ylpyrrol-2-yl)methanone is CC(C)n1cccc1C(=O)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2.
What is the InChIKey of [(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1-propan-2-ylpyrrol-2-yl)methanone?
The InChIKey is LHJYINQWPOWCAO-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H29N3O/c1-14(2)22-9-3-4-18(22)19(23)21-12-16-7-8-17(13-21)20(11-16)10-15-5-6-15/h3-4,9,14-17H,5-8,10-13H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of [(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1-propan-2-ylpyrrol-2-yl)methanone?
[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1-propan-2-ylpyrrol-2-yl)methanone has a molecular weight of 315.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1-propan-2-ylpyrrol-2-yl)methanone is sourced from PubChem (CID 70782281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).