N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]acetamide

C16H22N2O2 — CID 75499007

IUPACN-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]acetamide
SMILESCOc1cccc(C2C(NC(C)=O)CCN2C2CC2)c1
InChIInChI=1S/C16H22N2O2/c1-11(19)17-15-8-9-18(13-6-7-13)16(15)12-4-3-5-14(10-12)20-2/h3-5,10,13,15-16H,6-9H2,1-2H3,(H,17,19)
InChIKeyHMXGVHGMDMFLRZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.11
Rot. Bonds4

About N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]acetamide

N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]acetamide (PubChem CID 75499007) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]acetamide
PubChem CID75499007
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]acetamide
SMILESCOc1cccc(C2C(NC(C)=O)CCN2C2CC2)c1
InChIInChI=1S/C16H22N2O2/c1-11(19)17-15-8-9-18(13-6-7-13)16(15)12-4-3-5-14(10-12)20-2/h3-5,10,13,15-16H,6-9H2,1-2H3,(H,17,19)
InChIKeyHMXGVHGMDMFLRZ-UHFFFAOYSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]acetamide (CID 75499007) is N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]acetamide is COc1cccc(C2C(NC(C)=O)CCN2C2CC2)c1.
What is the InChIKey of N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]acetamide?
The InChIKey is HMXGVHGMDMFLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(19)17-15-8-9-18(13-6-7-13)16(15)12-4-3-5-14(10-12)20-2/h3-5,10,13,15-16H,6-9H2,1-2H3,(H,17,19).
What are the key properties of N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]acetamide?
N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]acetamide has a molecular weight of 274.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 75499007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).