4-amino-3,3-dimethyl-N-(1H-pyrrol-2-yl)butanamide

C10H17N3O — CID 115157201

IUPAC4-amino-3,3-dimethyl-N-(1H-pyrrol-2-yl)butanamide
SMILESCC(C)(CN)CC(=O)Nc1ccc[nH]1
InChIInChI=1S/C10H17N3O/c1-10(2,7-11)6-9(14)13-8-4-3-5-12-8/h3-5,12H,6-7,11H2,1-2H3,(H,13,14)
InChIKeyFRGFUNPBFAYHOK-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.33
Rot. Bonds4

About 4-amino-3,3-dimethyl-N-(1H-pyrrol-2-yl)butanamide

4-amino-3,3-dimethyl-N-(1H-pyrrol-2-yl)butanamide (PubChem CID 115157201) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-amino-3,3-dimethyl-N-(1H-pyrrol-2-yl)butanamide.

Molecular Properties

Compound Name4-amino-3,3-dimethyl-N-(1H-pyrrol-2-yl)butanamide
PubChem CID115157201
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-amino-3,3-dimethyl-N-(1H-pyrrol-2-yl)butanamide
SMILESCC(C)(CN)CC(=O)Nc1ccc[nH]1
InChIInChI=1S/C10H17N3O/c1-10(2,7-11)6-9(14)13-8-4-3-5-12-8/h3-5,12H,6-7,11H2,1-2H3,(H,13,14)
InChIKeyFRGFUNPBFAYHOK-UHFFFAOYSA-N
XLogP1.33
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1H-pyrrolo[2,3-d]pyrimidin-2(3H)-one
CID 24888096
N-(1H-pyrrol-2-yl)formamide
CID 54492709
Acetylaminoazole
CID 57140748
Ureidopyrrole
CID 68657670
Pyrrolyl-pyrrolidinone
CID 70434181
2-Acetamido-3-cyanopyrrole
CID 129784005
N,N-dipropylpyrrol-amine
CID 15480937
N-azolyl-3-oxobutanamide
CID 115176190
2,2,2-trifluoro-N-(1H-pyrrol-2-yl)acetamide
CID 115190117
2,2,2-trifluoro-N-methyl-N-(1H-pyrrol-2-yl)acetamide
CID 115190190
N-(1-Methyl-1H-pyrrol-2-yl)acetamide
CID 14489757
1-(1H-pyrrol-2-yl)pyrrolidine-2,5-dione
CID 14489760

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dimethyl-N-(1H-pyrrol-2-yl)butanamide?
The IUPAC name of 4-amino-3,3-dimethyl-N-(1H-pyrrol-2-yl)butanamide (CID 115157201) is 4-amino-3,3-dimethyl-N-(1H-pyrrol-2-yl)butanamide.
What is the SMILES notation for 4-amino-3,3-dimethyl-N-(1H-pyrrol-2-yl)butanamide?
The canonical SMILES for 4-amino-3,3-dimethyl-N-(1H-pyrrol-2-yl)butanamide is CC(C)(CN)CC(=O)Nc1ccc[nH]1.
What is the InChIKey of 4-amino-3,3-dimethyl-N-(1H-pyrrol-2-yl)butanamide?
The InChIKey is FRGFUNPBFAYHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(2,7-11)6-9(14)13-8-4-3-5-12-8/h3-5,12H,6-7,11H2,1-2H3,(H,13,14).
What are the key properties of 4-amino-3,3-dimethyl-N-(1H-pyrrol-2-yl)butanamide?
4-amino-3,3-dimethyl-N-(1H-pyrrol-2-yl)butanamide has a molecular weight of 195.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-dimethyl-N-(1H-pyrrol-2-yl)butanamide is sourced from PubChem (CID 115157201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).