2,2-dimethyl-N-(3H-pyrrol-2-ylmethyl)propanamide

C10H16N2O — CID 159935625

IUPAC2,2-dimethyl-N-(3H-pyrrol-2-ylmethyl)propanamide
SMILESCC(C)(C)C(=O)NCC1=NC=CC1
InChIInChI=1S/C10H16N2O/c1-10(2,3)9(13)12-7-8-5-4-6-11-8/h4,6H,5,7H2,1-3H3,(H,12,13)
InChIKeyOAFDWOZZEBXNBQ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.51
Rot. Bonds2

About 2,2-dimethyl-N-(3H-pyrrol-2-ylmethyl)propanamide

2,2-dimethyl-N-(3H-pyrrol-2-ylmethyl)propanamide (PubChem CID 159935625) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3H-pyrrol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(3H-pyrrol-2-ylmethyl)propanamide
PubChem CID159935625
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2,2-dimethyl-N-(3H-pyrrol-2-ylmethyl)propanamide
SMILESCC(C)(C)C(=O)NCC1=NC=CC1
InChIInChI=1S/C10H16N2O/c1-10(2,3)9(13)12-7-8-5-4-6-11-8/h4,6H,5,7H2,1-3H3,(H,12,13)
InChIKeyOAFDWOZZEBXNBQ-UHFFFAOYSA-N
XLogP1.51
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-3H-pyrrole-2-carboxamide
CID 58190011
N-(3,4-dihydropyridin-2-ylmethyl)acetamide
CID 126633453
N-butyl-2-ethenyliminobut-3-enamide
CID 142959978
3-amino-N-[2-(3H-pyrrol-2-yl)ethyl]propanamide
CID 143832117
2,2-dimethyl-N-[(4-methyl-3H-pyrrol-2-yl)methyl]propanamide
CID 147236148
ethane;N-methylacetamide;2-methyl-3H-pyrrole
CID 161394735

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3H-pyrrol-2-ylmethyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(3H-pyrrol-2-ylmethyl)propanamide (CID 159935625) is 2,2-dimethyl-N-(3H-pyrrol-2-ylmethyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(3H-pyrrol-2-ylmethyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(3H-pyrrol-2-ylmethyl)propanamide is CC(C)(C)C(=O)NCC1=NC=CC1.
What is the InChIKey of 2,2-dimethyl-N-(3H-pyrrol-2-ylmethyl)propanamide?
The InChIKey is OAFDWOZZEBXNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-10(2,3)9(13)12-7-8-5-4-6-11-8/h4,6H,5,7H2,1-3H3,(H,12,13).
What are the key properties of 2,2-dimethyl-N-(3H-pyrrol-2-ylmethyl)propanamide?
2,2-dimethyl-N-(3H-pyrrol-2-ylmethyl)propanamide has a molecular weight of 180.25 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3H-pyrrol-2-ylmethyl)propanamide is sourced from PubChem (CID 159935625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).