(2R)-1,2-dimethyl-3-naphthalen-2-yl-2,5-dihydropyrrole

C16H17N — CID 11241558

IUPAC(2R)-1,2-dimethyl-3-naphthalen-2-yl-2,5-dihydropyrrole
SMILESC[C@@H]1C(c2ccc3ccccc3c2)=CCN1C
InChIInChI=1S/C16H17N/c1-12-16(9-10-17(12)2)15-8-7-13-5-3-4-6-14(13)11-15/h3-9,11-12H,10H2,1-2H3/t12-/m1/s1
InChIKeyVRGJFDLECJOTQT-GFCCVEGCSA-N
MW223.32 g/mol
LogP3.56
Rot. Bonds1

About (2R)-1,2-dimethyl-3-naphthalen-2-yl-2,5-dihydropyrrole

(2R)-1,2-dimethyl-3-naphthalen-2-yl-2,5-dihydropyrrole (PubChem CID 11241558) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is (2R)-1,2-dimethyl-3-naphthalen-2-yl-2,5-dihydropyrrole.

Molecular Properties

Compound Name(2R)-1,2-dimethyl-3-naphthalen-2-yl-2,5-dihydropyrrole
PubChem CID11241558
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name(2R)-1,2-dimethyl-3-naphthalen-2-yl-2,5-dihydropyrrole
SMILESC[C@@H]1C(c2ccc3ccccc3c2)=CCN1C
InChIInChI=1S/C16H17N/c1-12-16(9-10-17(12)2)15-8-7-13-5-3-4-6-14(13)11-15/h3-9,11-12H,10H2,1-2H3/t12-/m1/s1
InChIKeyVRGJFDLECJOTQT-GFCCVEGCSA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,2-dimethyl-3-naphthalen-2-yl-2,5-dihydropyrrole?
The IUPAC name of (2R)-1,2-dimethyl-3-naphthalen-2-yl-2,5-dihydropyrrole (CID 11241558) is (2R)-1,2-dimethyl-3-naphthalen-2-yl-2,5-dihydropyrrole.
What is the SMILES notation for (2R)-1,2-dimethyl-3-naphthalen-2-yl-2,5-dihydropyrrole?
The canonical SMILES for (2R)-1,2-dimethyl-3-naphthalen-2-yl-2,5-dihydropyrrole is C[C@@H]1C(c2ccc3ccccc3c2)=CCN1C.
What is the InChIKey of (2R)-1,2-dimethyl-3-naphthalen-2-yl-2,5-dihydropyrrole?
The InChIKey is VRGJFDLECJOTQT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17N/c1-12-16(9-10-17(12)2)15-8-7-13-5-3-4-6-14(13)11-15/h3-9,11-12H,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-1,2-dimethyl-3-naphthalen-2-yl-2,5-dihydropyrrole?
(2R)-1,2-dimethyl-3-naphthalen-2-yl-2,5-dihydropyrrole has a molecular weight of 223.32 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2-dimethyl-3-naphthalen-2-yl-2,5-dihydropyrrole is sourced from PubChem (CID 11241558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).