3-(1-hydroxycyclohexyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-ynamide

C16H24N2O3 — CID 134853419

IUPAC3-(1-hydroxycyclohexyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-ynamide
SMILESO=C(C#CC1(O)CCCCC1)NCCCN1CCCC1=O
InChIInChI=1S/C16H24N2O3/c19-14(7-10-16(21)8-2-1-3-9-16)17-11-5-13-18-12-4-6-15(18)20/h21H,1-6,8-9,11-13H2,(H,17,19)
InChIKeyIHRKUDRKSVVVKJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.81
Rot. Bonds4

About 3-(1-hydroxycyclohexyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-ynamide

3-(1-hydroxycyclohexyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-ynamide (PubChem CID 134853419) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(1-hydroxycyclohexyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-ynamide.

Molecular Properties

Compound Name3-(1-hydroxycyclohexyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-ynamide
PubChem CID134853419
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-(1-hydroxycyclohexyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-ynamide
SMILESO=C(C#CC1(O)CCCCC1)NCCCN1CCCC1=O
InChIInChI=1S/C16H24N2O3/c19-14(7-10-16(21)8-2-1-3-9-16)17-11-5-13-18-12-4-6-15(18)20/h21H,1-6,8-9,11-13H2,(H,17,19)
InChIKeyIHRKUDRKSVVVKJ-UHFFFAOYSA-N
XLogP0.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxycyclohexyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-ynamide?
The IUPAC name of 3-(1-hydroxycyclohexyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-ynamide (CID 134853419) is 3-(1-hydroxycyclohexyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-ynamide.
What is the SMILES notation for 3-(1-hydroxycyclohexyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-ynamide?
The canonical SMILES for 3-(1-hydroxycyclohexyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-ynamide is O=C(C#CC1(O)CCCCC1)NCCCN1CCCC1=O.
What is the InChIKey of 3-(1-hydroxycyclohexyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-ynamide?
The InChIKey is IHRKUDRKSVVVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c19-14(7-10-16(21)8-2-1-3-9-16)17-11-5-13-18-12-4-6-15(18)20/h21H,1-6,8-9,11-13H2,(H,17,19).
What are the key properties of 3-(1-hydroxycyclohexyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-ynamide?
3-(1-hydroxycyclohexyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-ynamide has a molecular weight of 292.38 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxycyclohexyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-ynamide is sourced from PubChem (CID 134853419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).