N-[(3S)-pyrrolidin-3-yl]acetamide

C6H12N2O — CID 7021471

IUPACN-[(3S)-pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCNC1
InChIInChI=1S/C6H12N2O/c1-5(9)8-6-2-3-7-4-6/h6-7H,2-4H2,1H3,(H,8,9)/t6-/m0/s1
InChIKeyHDCCJUCOIKLZNM-LURJTMIESA-N
MW128.18 g/mol
LogP-0.52
Rot. Bonds1

About N-[(3S)-pyrrolidin-3-yl]acetamide

N-[(3S)-pyrrolidin-3-yl]acetamide (PubChem CID 7021471) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is N-[(3S)-pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-pyrrolidin-3-yl]acetamide
PubChem CID7021471
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC NameN-[(3S)-pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCNC1
InChIInChI=1S/C6H12N2O/c1-5(9)8-6-2-3-7-4-6/h6-7H,2-4H2,1H3,(H,8,9)/t6-/m0/s1
InChIKeyHDCCJUCOIKLZNM-LURJTMIESA-N
XLogP-0.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-pyrrolidin-3-yl]acetamide (CID 7021471) is N-[(3S)-pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-pyrrolidin-3-yl]acetamide is CC(=O)N[C@H]1CCNC1.
What is the InChIKey of N-[(3S)-pyrrolidin-3-yl]acetamide?
The InChIKey is HDCCJUCOIKLZNM-LURJTMIESA-N. The full InChI is InChI=1S/C6H12N2O/c1-5(9)8-6-2-3-7-4-6/h6-7H,2-4H2,1H3,(H,8,9)/t6-/m0/s1.
What are the key properties of N-[(3S)-pyrrolidin-3-yl]acetamide?
N-[(3S)-pyrrolidin-3-yl]acetamide has a molecular weight of 128.18 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 7021471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).