[(3R)-3-methyl-1-(3-methyl-2-nitrophenyl)pyrrolidin-3-yl]methanol

C13H18N2O3 — CID 100641457

IUPAC[(3R)-3-methyl-1-(3-methyl-2-nitrophenyl)pyrrolidin-3-yl]methanol
SMILESCc1cccc(N2CC[C@@](C)(CO)C2)c1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O3/c1-10-4-3-5-11(12(10)15(17)18)14-7-6-13(2,8-14)9-16/h3-5,16H,6-9H2,1-2H3/t13-/m1/s1
InChIKeyRVFZUZQLGAWZKU-CYBMUJFWSA-N
MW250.30 g/mol
LogP2.11
Rot. Bonds3

About [(3R)-3-methyl-1-(3-methyl-2-nitrophenyl)pyrrolidin-3-yl]methanol

[(3R)-3-methyl-1-(3-methyl-2-nitrophenyl)pyrrolidin-3-yl]methanol (PubChem CID 100641457) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is [(3R)-3-methyl-1-(3-methyl-2-nitrophenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-methyl-1-(3-methyl-2-nitrophenyl)pyrrolidin-3-yl]methanol
PubChem CID100641457
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name[(3R)-3-methyl-1-(3-methyl-2-nitrophenyl)pyrrolidin-3-yl]methanol
SMILESCc1cccc(N2CC[C@@](C)(CO)C2)c1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O3/c1-10-4-3-5-11(12(10)15(17)18)14-7-6-13(2,8-14)9-16/h3-5,16H,6-9H2,1-2H3/t13-/m1/s1
InChIKeyRVFZUZQLGAWZKU-CYBMUJFWSA-N
XLogP2.11
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(3R)-3-methyl-1-(3-methyl-2-nitrophenyl)pyrrolidin-3-yl]methanol 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-[4-(3-methyl-2-nitrophenyl)-1,4-diazepan-1-yl]ethanol
CID 102605159
[1-(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)-3-methylpyrrolidin-3-yl]methanol
CID 129284153
1-(3-chloro-2-nitrophenyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 104835172
3-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-2-nitroaniline
CID 80854448
4,4-diethyl-1-(3-fluoro-2-nitrophenyl)piperidine
CID 63549434
1-(3-chloro-2-nitrophenyl)-3-methylpiperidine-3-carboxylic acid
CID 104835170
2-[3-methyl-1-(3-methylphenyl)pyrrolidin-3-yl]acetic acid
CID 117013143
4-(3-methyl-2-nitrophenyl)thiomorpholine-3-carboxylic acid
CID 114041458
1-(3-chloro-2-nitrophenyl)-4-ethylpiperidine-4-carboxylic acid
CID 104835169
1-(3-bromo-2-nitrophenyl)-3,3-difluoropyrrolidine
CID 86810692
6-(3-methylsulfonyl-2-nitrophenyl)-6-azaspiro[3.4]octane
CID 99780504
[1-(4-aminophenyl)-3-methylpyrrolidin-3-yl]methanol
CID 139612456

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methyl-1-(3-methyl-2-nitrophenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R)-3-methyl-1-(3-methyl-2-nitrophenyl)pyrrolidin-3-yl]methanol (CID 100641457) is [(3R)-3-methyl-1-(3-methyl-2-nitrophenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R)-3-methyl-1-(3-methyl-2-nitrophenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R)-3-methyl-1-(3-methyl-2-nitrophenyl)pyrrolidin-3-yl]methanol is Cc1cccc(N2CC[C@@](C)(CO)C2)c1[N+](=O)[O-].
What is the InChIKey of [(3R)-3-methyl-1-(3-methyl-2-nitrophenyl)pyrrolidin-3-yl]methanol?
The InChIKey is RVFZUZQLGAWZKU-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10-4-3-5-11(12(10)15(17)18)14-7-6-13(2,8-14)9-16/h3-5,16H,6-9H2,1-2H3/t13-/m1/s1.
What are the key properties of [(3R)-3-methyl-1-(3-methyl-2-nitrophenyl)pyrrolidin-3-yl]methanol?
[(3R)-3-methyl-1-(3-methyl-2-nitrophenyl)pyrrolidin-3-yl]methanol has a molecular weight of 250.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methyl-1-(3-methyl-2-nitrophenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 100641457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).