N,N-dimethyl-3-propan-2-yl-2H-pyrrole-5-carboxamide

C10H16N2O — CID 157182491

IUPACN,N-dimethyl-3-propan-2-yl-2H-pyrrole-5-carboxamide
SMILESCC(C)C1=CC(C(=O)N(C)C)=NC1
InChIInChI=1S/C10H16N2O/c1-7(2)8-5-9(11-6-8)10(13)12(3)4/h5,7H,6H2,1-4H3
InChIKeyWYDHYKKAFLJCDM-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.11
Rot. Bonds2

About N,N-dimethyl-3-propan-2-yl-2H-pyrrole-5-carboxamide

N,N-dimethyl-3-propan-2-yl-2H-pyrrole-5-carboxamide (PubChem CID 157182491) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N,N-dimethyl-3-propan-2-yl-2H-pyrrole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-propan-2-yl-2H-pyrrole-5-carboxamide
PubChem CID157182491
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN,N-dimethyl-3-propan-2-yl-2H-pyrrole-5-carboxamide
SMILESCC(C)C1=CC(C(=O)N(C)C)=NC1
InChIInChI=1S/C10H16N2O/c1-7(2)8-5-9(11-6-8)10(13)12(3)4/h5,7H,6H2,1-4H3
InChIKeyWYDHYKKAFLJCDM-UHFFFAOYSA-N
XLogP1.11
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-propan-2-yl-2H-pyrrole-5-carboxamide?
The IUPAC name of N,N-dimethyl-3-propan-2-yl-2H-pyrrole-5-carboxamide (CID 157182491) is N,N-dimethyl-3-propan-2-yl-2H-pyrrole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-propan-2-yl-2H-pyrrole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-3-propan-2-yl-2H-pyrrole-5-carboxamide is CC(C)C1=CC(C(=O)N(C)C)=NC1.
What is the InChIKey of N,N-dimethyl-3-propan-2-yl-2H-pyrrole-5-carboxamide?
The InChIKey is WYDHYKKAFLJCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)8-5-9(11-6-8)10(13)12(3)4/h5,7H,6H2,1-4H3.
What are the key properties of N,N-dimethyl-3-propan-2-yl-2H-pyrrole-5-carboxamide?
N,N-dimethyl-3-propan-2-yl-2H-pyrrole-5-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-propan-2-yl-2H-pyrrole-5-carboxamide is sourced from PubChem (CID 157182491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).