N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide

C9H18N2O — CID 104955188

IUPACN-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
SMILESCCC(=O)NCC[C@@H]1CCCN1
InChIInChI=1S/C9H18N2O/c1-2-9(12)11-7-5-8-4-3-6-10-8/h8,10H,2-7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyJEZMMBRIPPVBBN-QMMMGPOBSA-N
MW170.26 g/mol
LogP0.65
Rot. Bonds4

About N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide

N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide (PubChem CID 104955188) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
PubChem CID104955188
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
SMILESCCC(=O)NCC[C@@H]1CCCN1
InChIInChI=1S/C9H18N2O/c1-2-9(12)11-7-5-8-4-3-6-10-8/h8,10H,2-7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyJEZMMBRIPPVBBN-QMMMGPOBSA-N
XLogP0.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
CID 104955184
1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea
CID 104972281
3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 114793955
3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 83619295
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide
CID 104971837
N-(2-pyrrolidin-2-ylethyl)octanamide
CID 114793852
2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide
CID 104972087
1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea
CID 114794047
1-ethyl-1-methyl-3-(2-pyrrolidin-2-ylethyl)urea
CID 114794049
3,3-dimethyl-N-(2-piperidin-2-ylethyl)butanamide
CID 24697478
N-(2-piperidin-2-ylethyl)octanamide
CID 43125232
N-(2-pyrrolidin-2-ylethyl)pent-4-enamide
CID 114793761

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide?
The IUPAC name of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide (CID 104955188) is N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide is CCC(=O)NCC[C@@H]1CCCN1.
What is the InChIKey of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide?
The InChIKey is JEZMMBRIPPVBBN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-9(12)11-7-5-8-4-3-6-10-8/h8,10H,2-7H2,1H3,(H,11,12)/t8-/m0/s1.
What are the key properties of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide?
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide has a molecular weight of 170.26 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide is sourced from PubChem (CID 104955188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).