(4-methyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl)-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]methanone

C22H26N2O — CID 167953061

IUPAC(4-methyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl)-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]methanone
SMILESCN1CCCC2C1CCN2C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1
InChIInChI=1S/C22H26N2O/c1-23-11-4-7-21-20(23)10-12-24(21)22(25)19-14-18(19)17-9-8-15-5-2-3-6-16(15)13-17/h2-3,5-6,8-9,13,18-21H,4,7,10-12,14H2,1H3/t18-,19+,20?,21?/m0/s1
InChIKeyOGWNBTPJWRVWFU-KREBGBLKSA-N
MW334.46 g/mol
LogP3.64
Rot. Bonds2

About (4-methyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl)-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]methanone

(4-methyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl)-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]methanone (PubChem CID 167953061) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is (4-methyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl)-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]methanone.

Molecular Properties

Compound Name(4-methyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl)-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]methanone
PubChem CID167953061
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name(4-methyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl)-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]methanone
SMILESCN1CCCC2C1CCN2C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1
InChIInChI=1S/C22H26N2O/c1-23-11-4-7-21-20(23)10-12-24(21)22(25)19-14-18(19)17-9-8-15-5-2-3-6-16(15)13-17/h2-3,5-6,8-9,13,18-21H,4,7,10-12,14H2,1H3/t18-,19+,20?,21?/m0/s1
InChIKeyOGWNBTPJWRVWFU-KREBGBLKSA-N
XLogP3.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-methyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl)-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl)-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]methanone?
The IUPAC name of (4-methyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl)-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]methanone (CID 167953061) is (4-methyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl)-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]methanone.
What is the SMILES notation for (4-methyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl)-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]methanone?
The canonical SMILES for (4-methyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl)-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]methanone is CN1CCCC2C1CCN2C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1.
What is the InChIKey of (4-methyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl)-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]methanone?
The InChIKey is OGWNBTPJWRVWFU-KREBGBLKSA-N. The full InChI is InChI=1S/C22H26N2O/c1-23-11-4-7-21-20(23)10-12-24(21)22(25)19-14-18(19)17-9-8-15-5-2-3-6-16(15)13-17/h2-3,5-6,8-9,13,18-21H,4,7,10-12,14H2,1H3/t18-,19+,20?,21?/m0/s1.
What are the key properties of (4-methyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl)-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]methanone?
(4-methyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl)-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]methanone has a molecular weight of 334.46 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl)-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]methanone is sourced from PubChem (CID 167953061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).