1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrole-3-carboxylic acid

C16H17NO2 — CID 79104229

IUPAC1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrole-3-carboxylic acid
SMILESO=C(O)c1ccn(CC2CCCc3ccccc32)c1
InChIInChI=1S/C16H17NO2/c18-16(19)14-8-9-17(11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-2,4,7-9,11,13H,3,5-6,10H2,(H,18,19)
InChIKeyQHCNFAWAOPRUES-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.31
Rot. Bonds3

About 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrole-3-carboxylic acid

1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrole-3-carboxylic acid (PubChem CID 79104229) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrole-3-carboxylic acid
PubChem CID79104229
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrole-3-carboxylic acid
SMILESO=C(O)c1ccn(CC2CCCc3ccccc32)c1
InChIInChI=1S/C16H17NO2/c18-16(19)14-8-9-17(11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-2,4,7-9,11,13H,3,5-6,10H2,(H,18,19)
InChIKeyQHCNFAWAOPRUES-UHFFFAOYSA-N
XLogP3.31
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrol-3-yl]propan-1-one
CID 79108436
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrole-3-carboxylic acid
CID 79221343
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,2-dioxazolidine-4,5-dione
CID 44784874
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazole-4-carboxylic acid
CID 65172704
[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methanol
CID 55242278
3-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine
CID 63771318
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
[(2R)-oxolan-2-yl]-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperazin-1-yl]methanone
CID 98946929
1-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]piperidine-4-carboxylic acid
CID 124702036
5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid
CID 71387603
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole-4-carbaldehyde
CID 63772321
2-[1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178470

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrole-3-carboxylic acid?
The IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrole-3-carboxylic acid (CID 79104229) is 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrole-3-carboxylic acid?
The canonical SMILES for 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrole-3-carboxylic acid is O=C(O)c1ccn(CC2CCCc3ccccc32)c1.
What is the InChIKey of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrole-3-carboxylic acid?
The InChIKey is QHCNFAWAOPRUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-16(19)14-8-9-17(11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-2,4,7-9,11,13H,3,5-6,10H2,(H,18,19).
What are the key properties of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrole-3-carboxylic acid?
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrole-3-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 79104229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).