N-[6-(3-hydroxy-4-propan-2-ylpyrrolidin-1-yl)-6-oxohexyl]formamide

C14H26N2O3 — CID 147227422

IUPACN-[6-(3-hydroxy-4-propan-2-ylpyrrolidin-1-yl)-6-oxohexyl]formamide
SMILESCC(C)C1CN(C(=O)CCCCCNC=O)CC1O
InChIInChI=1S/C14H26N2O3/c1-11(2)12-8-16(9-13(12)18)14(19)6-4-3-5-7-15-10-17/h10-13,18H,3-9H2,1-2H3,(H,15,17)
InChIKeyCIGDFYNVKHTRFJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.77
Rot. Bonds8

About N-[6-(3-hydroxy-4-propan-2-ylpyrrolidin-1-yl)-6-oxohexyl]formamide

N-[6-(3-hydroxy-4-propan-2-ylpyrrolidin-1-yl)-6-oxohexyl]formamide (PubChem CID 147227422) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-[6-(3-hydroxy-4-propan-2-ylpyrrolidin-1-yl)-6-oxohexyl]formamide.

Molecular Properties

Compound NameN-[6-(3-hydroxy-4-propan-2-ylpyrrolidin-1-yl)-6-oxohexyl]formamide
PubChem CID147227422
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-[6-(3-hydroxy-4-propan-2-ylpyrrolidin-1-yl)-6-oxohexyl]formamide
SMILESCC(C)C1CN(C(=O)CCCCCNC=O)CC1O
InChIInChI=1S/C14H26N2O3/c1-11(2)12-8-16(9-13(12)18)14(19)6-4-3-5-7-15-10-17/h10-13,18H,3-9H2,1-2H3,(H,15,17)
InChIKeyCIGDFYNVKHTRFJ-UHFFFAOYSA-N
XLogP0.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-hydroxy-4-propan-2-ylpyrrolidin-1-yl)-6-oxohexyl]formamide?
The IUPAC name of N-[6-(3-hydroxy-4-propan-2-ylpyrrolidin-1-yl)-6-oxohexyl]formamide (CID 147227422) is N-[6-(3-hydroxy-4-propan-2-ylpyrrolidin-1-yl)-6-oxohexyl]formamide.
What is the SMILES notation for N-[6-(3-hydroxy-4-propan-2-ylpyrrolidin-1-yl)-6-oxohexyl]formamide?
The canonical SMILES for N-[6-(3-hydroxy-4-propan-2-ylpyrrolidin-1-yl)-6-oxohexyl]formamide is CC(C)C1CN(C(=O)CCCCCNC=O)CC1O.
What is the InChIKey of N-[6-(3-hydroxy-4-propan-2-ylpyrrolidin-1-yl)-6-oxohexyl]formamide?
The InChIKey is CIGDFYNVKHTRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(2)12-8-16(9-13(12)18)14(19)6-4-3-5-7-15-10-17/h10-13,18H,3-9H2,1-2H3,(H,15,17).
What are the key properties of N-[6-(3-hydroxy-4-propan-2-ylpyrrolidin-1-yl)-6-oxohexyl]formamide?
N-[6-(3-hydroxy-4-propan-2-ylpyrrolidin-1-yl)-6-oxohexyl]formamide has a molecular weight of 270.37 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-hydroxy-4-propan-2-ylpyrrolidin-1-yl)-6-oxohexyl]formamide is sourced from PubChem (CID 147227422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).