N-[(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide

C11H14ClN3O2 — CID 126445372

IUPACN-[(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1
InChIInChI=1S/C11H14ClN3O2/c1-7(16)14-9-2-3-15(6-9)11(17)10-4-8(12)5-13-10/h4-5,9,13H,2-3,6H2,1H3,(H,14,16)/t9-/m0/s1
InChIKeyQDECHOWUMMQGBD-VIFPVBQESA-N
MW255.70 g/mol
LogP1.02
Rot. Bonds2

About N-[(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide

N-[(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide (PubChem CID 126445372) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is N-[(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide
PubChem CID126445372
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC NameN-[(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1
InChIInChI=1S/C11H14ClN3O2/c1-7(16)14-9-2-3-15(6-9)11(17)10-4-8(12)5-13-10/h4-5,9,13H,2-3,6H2,1H3,(H,14,16)/t9-/m0/s1
InChIKeyQDECHOWUMMQGBD-VIFPVBQESA-N
XLogP1.02
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide (CID 126445372) is N-[(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1.
What is the InChIKey of N-[(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is QDECHOWUMMQGBD-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-7(16)14-9-2-3-15(6-9)11(17)10-4-8(12)5-13-10/h4-5,9,13H,2-3,6H2,1H3,(H,14,16)/t9-/m0/s1.
What are the key properties of N-[(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide?
N-[(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 255.70 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 126445372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).