N,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide

C11H17N3O — CID 119550200

IUPACN,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide
SMILESCc1c[nH]cc1C(=O)N(C)C1CCNC1
InChIInChI=1S/C11H17N3O/c1-8-5-13-7-10(8)11(15)14(2)9-3-4-12-6-9/h5,7,9,12-13H,3-4,6H2,1-2H3
InChIKeyLVCPNCGAAAZLLC-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.76
Rot. Bonds2

About N,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide

N,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide (PubChem CID 119550200) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide
PubChem CID119550200
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide
SMILESCc1c[nH]cc1C(=O)N(C)C1CCNC1
InChIInChI=1S/C11H17N3O/c1-8-5-13-7-10(8)11(15)14(2)9-3-4-12-6-9/h5,7,9,12-13H,3-4,6H2,1-2H3
InChIKeyLVCPNCGAAAZLLC-UHFFFAOYSA-N
XLogP0.76
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide?
The IUPAC name of N,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide (CID 119550200) is N,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide is Cc1c[nH]cc1C(=O)N(C)C1CCNC1.
What is the InChIKey of N,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide?
The InChIKey is LVCPNCGAAAZLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-5-13-7-10(8)11(15)14(2)9-3-4-12-6-9/h5,7,9,12-13H,3-4,6H2,1-2H3.
What are the key properties of N,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide?
N,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 119550200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).