N-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]acetamide

C10H20N2O — CID 178115715

IUPACN-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]acetamide
SMILESCCCN1CC[C@H](N(C)C(C)=O)C1
InChIInChI=1S/C10H20N2O/c1-4-6-12-7-5-10(8-12)11(3)9(2)13/h10H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyFXLAWNFCENUIHR-JTQLQIEISA-N
MW184.28 g/mol
LogP0.95
Rot. Bonds3

About N-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]acetamide

N-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]acetamide (PubChem CID 178115715) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]acetamide
PubChem CID178115715
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]acetamide
SMILESCCCN1CC[C@H](N(C)C(C)=O)C1
InChIInChI=1S/C10H20N2O/c1-4-6-12-7-5-10(8-12)11(3)9(2)13/h10H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyFXLAWNFCENUIHR-JTQLQIEISA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-(1-ethylpyrrolidin-3-yl)-N-methylacetamide
CID 163266627
N-(1-butylpiperidin-4-yl)-N-methylacetamide
CID 70802066
acetic acid;3-methyl-1-propylpyrrolidine
CID 175874786
ethane;1-(1-propylpyrrolidin-3-yl)ethanone
CID 91068645
N-ethyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]acetamide
CID 66567335
N,2,2-trimethyl-N-(1-propylpiperidin-4-yl)propanamide
CID 64590731
N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide
CID 54290996
3-[methyl-(1-propylpiperidin-4-yl)amino]-3-oxopropanoic acid
CID 62230268
ethane;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide
CID 155739583
(2R)-2-amino-N,4-dimethyl-N-(1-propylpiperidin-4-yl)pentanamide
CID 93469457
1-(1-ethylpyrrolidin-3-yl)-1,3,3-trimethylurea
CID 67580612
tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate
CID 63714385

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]acetamide (CID 178115715) is N-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]acetamide is CCCN1CC[C@H](N(C)C(C)=O)C1.
What is the InChIKey of N-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]acetamide?
The InChIKey is FXLAWNFCENUIHR-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-6-12-7-5-10(8-12)11(3)9(2)13/h10H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of N-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]acetamide?
N-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]acetamide has a molecular weight of 184.28 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 178115715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).