(3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide

C9H18N2O — CID 130272211

IUPAC(3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCN(C(C)C)C1
InChIInChI=1S/C9H18N2O/c1-7(2)11-5-4-8(6-11)9(12)10-3/h7-8H,4-6H2,1-3H3,(H,10,12)/t8-/m1/s1
InChIKeyRROIINNVTWOWLX-MRVPVSSYSA-N
MW170.26 g/mol
LogP0.46
Rot. Bonds2

About (3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide

(3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 130272211) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID130272211
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCN(C(C)C)C1
InChIInChI=1S/C9H18N2O/c1-7(2)11-5-4-8(6-11)9(12)10-3/h7-8H,4-6H2,1-3H3,(H,10,12)/t8-/m1/s1
InChIKeyRROIINNVTWOWLX-MRVPVSSYSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-(1-propan-2-ylpyrrolidin-3-yl)methanone
CID 58803042
2-methyl-3-[4-(methylcarbamoyl)piperidin-1-yl]butanoic acid
CID 79406833
N-(1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
CID 140563129
N-methyl-1-(3-methyl-1-oxobutan-2-yl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 175719360
ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 177135939
1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane
CID 171808100
1-formyl-N-methylpyrrolidine-3-carboxamide
CID 87281380
(3R)-1-tert-butyl-N-methylpyrrolidine-3-carboxamide
CID 129035159
N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814
tert-butyl 2-[4-(methylcarbamoyl)piperidin-1-yl]propanoate
CID 64687530
N-tert-butyl-1-propan-2-ylpiperidine-4-carboxamide
CID 155453359
N-methyl-1-sulfanylpiperidine-4-carboxamide
CID 88912319

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide (CID 130272211) is (3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CCN(C(C)C)C1.
What is the InChIKey of (3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is RROIINNVTWOWLX-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)11-5-4-8(6-11)9(12)10-3/h7-8H,4-6H2,1-3H3,(H,10,12)/t8-/m1/s1.
What are the key properties of (3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide?
(3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 170.26 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 130272211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).