2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide

C16H26N2O2 — CID 114339675

IUPAC2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)N1CCCC1C1CCCCC1O
InChIInChI=1S/C16H26N2O2/c1-3-10-17-16(20)12(2)18-11-6-8-14(18)13-7-4-5-9-15(13)19/h1,12-15,19H,4-11H2,2H3,(H,17,20)
InChIKeyDZRFLBWSDWTROB-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.14
Rot. Bonds4

About 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide

2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide (PubChem CID 114339675) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide
PubChem CID114339675
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)N1CCCC1C1CCCCC1O
InChIInChI=1S/C16H26N2O2/c1-3-10-17-16(20)12(2)18-11-6-8-14(18)13-7-4-5-9-15(13)19/h1,12-15,19H,4-11H2,2H3,(H,17,20)
InChIKeyDZRFLBWSDWTROB-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide (CID 114339675) is 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)N1CCCC1C1CCCCC1O.
What is the InChIKey of 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide?
The InChIKey is DZRFLBWSDWTROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-10-17-16(20)12(2)18-11-6-8-14(18)13-7-4-5-9-15(13)19/h1,12-15,19H,4-11H2,2H3,(H,17,20).
What are the key properties of 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide?
2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 114339675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).