N-[(1-methylpyrrol-3-yl)methyl]pentanamide

C11H18N2O — CID 110782459

IUPACN-[(1-methylpyrrol-3-yl)methyl]pentanamide
SMILESCCCCC(=O)NCc1ccn(C)c1
InChIInChI=1S/C11H18N2O/c1-3-4-5-11(14)12-8-10-6-7-13(2)9-10/h6-7,9H,3-5,8H2,1-2H3,(H,12,14)
InChIKeyCTPHHCKSVBDDMJ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.83
Rot. Bonds5

About N-[(1-methylpyrrol-3-yl)methyl]pentanamide

N-[(1-methylpyrrol-3-yl)methyl]pentanamide (PubChem CID 110782459) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[(1-methylpyrrol-3-yl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(1-methylpyrrol-3-yl)methyl]pentanamide
PubChem CID110782459
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-[(1-methylpyrrol-3-yl)methyl]pentanamide
SMILESCCCCC(=O)NCc1ccn(C)c1
InChIInChI=1S/C11H18N2O/c1-3-4-5-11(14)12-8-10-6-7-13(2)9-10/h6-7,9H,3-5,8H2,1-2H3,(H,12,14)
InChIKeyCTPHHCKSVBDDMJ-UHFFFAOYSA-N
XLogP1.83
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-[(1-methylpyrrol-3-yl)methyl]hexanamide
CID 106390854
N-[(1-methylpyrrol-3-yl)methyl]-4-(propan-2-ylamino)butanamide
CID 114182663
4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide
CID 106813362
3-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide
CID 66397923
N-butyl-2-(1-methylpyrrol-3-yl)acetamide
CID 110768899
3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide
CID 110782535
N-[(1-methylpyrrol-3-yl)methyl]prop-2-enamide
CID 106390668
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
2-[(2-methylpropan-2-yl)oxy]-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103943197
N-[(1-methylpyrrol-3-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 106390836
N-[(3,4-dichlorophenyl)methyl]pentanamide
CID 3343442
N-[(1-methylpyrrol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103722342

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]pentanamide?
The IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]pentanamide (CID 110782459) is N-[(1-methylpyrrol-3-yl)methyl]pentanamide.
What is the SMILES notation for N-[(1-methylpyrrol-3-yl)methyl]pentanamide?
The canonical SMILES for N-[(1-methylpyrrol-3-yl)methyl]pentanamide is CCCCC(=O)NCc1ccn(C)c1.
What is the InChIKey of N-[(1-methylpyrrol-3-yl)methyl]pentanamide?
The InChIKey is CTPHHCKSVBDDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-4-5-11(14)12-8-10-6-7-13(2)9-10/h6-7,9H,3-5,8H2,1-2H3,(H,12,14).
What are the key properties of N-[(1-methylpyrrol-3-yl)methyl]pentanamide?
N-[(1-methylpyrrol-3-yl)methyl]pentanamide has a molecular weight of 194.28 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-3-yl)methyl]pentanamide is sourced from PubChem (CID 110782459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).