1-methyl-2-[(3S)-3-naphthalen-1-ylbutyl]pyrrole

C19H21N — CID 58360604

IUPAC1-methyl-2-[(3S)-3-naphthalen-1-ylbutyl]pyrrole
SMILESC[C@@H](CCc1cccn1C)c1cccc2ccccc12
InChIInChI=1S/C19H21N/c1-15(12-13-17-9-6-14-20(17)2)18-11-5-8-16-7-3-4-10-19(16)18/h3-11,14-15H,12-13H2,1-2H3/t15-/m0/s1
InChIKeyJOSNDDBLYCECMK-HNNXBMFYSA-N
MW263.38 g/mol
LogP4.91
Rot. Bonds4

About 1-methyl-2-[(3S)-3-naphthalen-1-ylbutyl]pyrrole

1-methyl-2-[(3S)-3-naphthalen-1-ylbutyl]pyrrole (PubChem CID 58360604) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-methyl-2-[(3S)-3-naphthalen-1-ylbutyl]pyrrole.

Molecular Properties

Compound Name1-methyl-2-[(3S)-3-naphthalen-1-ylbutyl]pyrrole
PubChem CID58360604
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name1-methyl-2-[(3S)-3-naphthalen-1-ylbutyl]pyrrole
SMILESC[C@@H](CCc1cccn1C)c1cccc2ccccc12
InChIInChI=1S/C19H21N/c1-15(12-13-17-9-6-14-20(17)2)18-11-5-8-16-7-3-4-10-19(16)18/h3-11,14-15H,12-13H2,1-2H3/t15-/m0/s1
InChIKeyJOSNDDBLYCECMK-HNNXBMFYSA-N
XLogP4.91
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-4-naphthalen-1-ylpentanal
CID 10774914
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
N-ethyl-3-naphthalen-1-ylbutan-1-amine
CID 81020058
1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene
CID 69118835
butane;1-propan-2-ylnaphthalene
CID 157253186
1-(4-bromopentan-2-yl)naphthalene
CID 64720152
naphthalen-1-yl(3-naphthalen-1-ylbutoxy)methanol
CID 91010626
cerium(3+);2-naphthalen-1-ylpropan-1-amine;trichloride;hydrate
CID 159849461
1-[(2R)-butan-2-yl]naphthalene;pentane
CID 142150914
difluoro(2-naphthalen-1-ylpropyl)silane
CID 137328904
CID 174906138
CID 174906138
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(3S)-3-naphthalen-1-ylbutyl]pyrrole?
The IUPAC name of 1-methyl-2-[(3S)-3-naphthalen-1-ylbutyl]pyrrole (CID 58360604) is 1-methyl-2-[(3S)-3-naphthalen-1-ylbutyl]pyrrole.
What is the SMILES notation for 1-methyl-2-[(3S)-3-naphthalen-1-ylbutyl]pyrrole?
The canonical SMILES for 1-methyl-2-[(3S)-3-naphthalen-1-ylbutyl]pyrrole is C[C@@H](CCc1cccn1C)c1cccc2ccccc12.
What is the InChIKey of 1-methyl-2-[(3S)-3-naphthalen-1-ylbutyl]pyrrole?
The InChIKey is JOSNDDBLYCECMK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N/c1-15(12-13-17-9-6-14-20(17)2)18-11-5-8-16-7-3-4-10-19(16)18/h3-11,14-15H,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-methyl-2-[(3S)-3-naphthalen-1-ylbutyl]pyrrole?
1-methyl-2-[(3S)-3-naphthalen-1-ylbutyl]pyrrole has a molecular weight of 263.38 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(3S)-3-naphthalen-1-ylbutyl]pyrrole is sourced from PubChem (CID 58360604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).