4-[(2-prop-2-ynoxyphenyl)methylamino]pyrrolidin-2-one

C14H16N2O2 — CID 114155088

IUPAC4-[(2-prop-2-ynoxyphenyl)methylamino]pyrrolidin-2-one
SMILESC#CCOc1ccccc1CNC1CNC(=O)C1
InChIInChI=1S/C14H16N2O2/c1-2-7-18-13-6-4-3-5-11(13)9-15-12-8-14(17)16-10-12/h1,3-6,12,15H,7-10H2,(H,16,17)
InChIKeyQQYWXQJPLALVMI-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.68
Rot. Bonds5

About 4-[(2-prop-2-ynoxyphenyl)methylamino]pyrrolidin-2-one

4-[(2-prop-2-ynoxyphenyl)methylamino]pyrrolidin-2-one (PubChem CID 114155088) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[(2-prop-2-ynoxyphenyl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2-prop-2-ynoxyphenyl)methylamino]pyrrolidin-2-one
PubChem CID114155088
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-[(2-prop-2-ynoxyphenyl)methylamino]pyrrolidin-2-one
SMILESC#CCOc1ccccc1CNC1CNC(=O)C1
InChIInChI=1S/C14H16N2O2/c1-2-7-18-13-6-4-3-5-11(13)9-15-12-8-14(17)16-10-12/h1,3-6,12,15H,7-10H2,(H,16,17)
InChIKeyQQYWXQJPLALVMI-UHFFFAOYSA-N
XLogP0.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-prop-2-ynoxyphenyl)methylamino]cyclohexan-1-ol
CID 28615243
N-[(2-prop-2-ynoxyphenyl)methyl]thiolan-3-amine
CID 103902341
3,3-dimethyl-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine
CID 114544341
3-methoxy-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine
CID 103081772
1-propyl-N-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-amine
CID 28718379
N-[2-[[(5-oxopyrrolidin-3-yl)amino]methyl]phenyl]acetamide
CID 114155218
4-(prop-2-ynylamino)pyrrolidin-2-one
CID 106184297
4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-2-one
CID 130681741
2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenoxy]acetonitrile
CID 107849941
1,1-dicyclopropyl-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 28661521
4-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidin-2-one
CID 114155169
1-(cyclopropylmethyl)-2-prop-2-ynoxybenzene
CID 162161399

Frequently Asked Questions

What is the IUPAC name of 4-[(2-prop-2-ynoxyphenyl)methylamino]pyrrolidin-2-one?
The IUPAC name of 4-[(2-prop-2-ynoxyphenyl)methylamino]pyrrolidin-2-one (CID 114155088) is 4-[(2-prop-2-ynoxyphenyl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(2-prop-2-ynoxyphenyl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[(2-prop-2-ynoxyphenyl)methylamino]pyrrolidin-2-one is C#CCOc1ccccc1CNC1CNC(=O)C1.
What is the InChIKey of 4-[(2-prop-2-ynoxyphenyl)methylamino]pyrrolidin-2-one?
The InChIKey is QQYWXQJPLALVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-7-18-13-6-4-3-5-11(13)9-15-12-8-14(17)16-10-12/h1,3-6,12,15H,7-10H2,(H,16,17).
What are the key properties of 4-[(2-prop-2-ynoxyphenyl)methylamino]pyrrolidin-2-one?
4-[(2-prop-2-ynoxyphenyl)methylamino]pyrrolidin-2-one has a molecular weight of 244.29 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-prop-2-ynoxyphenyl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 114155088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).