N-(5-hydroxypentyl)-N,4-dimethylpyrrolidine-3-carboxamide

C12H24N2O2 — CID 107199408

IUPACN-(5-hydroxypentyl)-N,4-dimethylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)N(C)CCCCCO
InChIInChI=1S/C12H24N2O2/c1-10-8-13-9-11(10)12(16)14(2)6-4-3-5-7-15/h10-11,13,15H,3-9H2,1-2H3
InChIKeyBJOGOXZIEJOBFJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.46
Rot. Bonds6

About N-(5-hydroxypentyl)-N,4-dimethylpyrrolidine-3-carboxamide

N-(5-hydroxypentyl)-N,4-dimethylpyrrolidine-3-carboxamide (PubChem CID 107199408) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N,4-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N,4-dimethylpyrrolidine-3-carboxamide
PubChem CID107199408
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(5-hydroxypentyl)-N,4-dimethylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)N(C)CCCCCO
InChIInChI=1S/C12H24N2O2/c1-10-8-13-9-11(10)12(16)14(2)6-4-3-5-7-15/h10-11,13,15H,3-9H2,1-2H3
InChIKeyBJOGOXZIEJOBFJ-UHFFFAOYSA-N
XLogP0.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N,4-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-N,4-dimethylpyrrolidine-3-carboxamide (CID 107199408) is N-(5-hydroxypentyl)-N,4-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N,4-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-N,4-dimethylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)N(C)CCCCCO.
What is the InChIKey of N-(5-hydroxypentyl)-N,4-dimethylpyrrolidine-3-carboxamide?
The InChIKey is BJOGOXZIEJOBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10-8-13-9-11(10)12(16)14(2)6-4-3-5-7-15/h10-11,13,15H,3-9H2,1-2H3.
What are the key properties of N-(5-hydroxypentyl)-N,4-dimethylpyrrolidine-3-carboxamide?
N-(5-hydroxypentyl)-N,4-dimethylpyrrolidine-3-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N,4-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 107199408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).