N-(3-methoxyphenyl)pyrrolidine-1-carboxamide

C12H16N2O2 — CID 6470002

IUPACN-(3-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCC2)c1
InChIInChI=1S/C12H16N2O2/c1-16-11-6-4-5-10(9-11)13-12(15)14-7-2-3-8-14/h4-6,9H,2-3,7-8H2,1H3,(H,13,15)
InChIKeyGOZSMQGQDZSVEU-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.32
Rot. Bonds2

About N-(3-methoxyphenyl)pyrrolidine-1-carboxamide

N-(3-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 6470002) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(3-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID6470002
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(3-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCC2)c1
InChIInChI=1S/C12H16N2O2/c1-16-11-6-4-5-10(9-11)13-12(15)14-7-2-3-8-14/h4-6,9H,2-3,7-8H2,1H3,(H,13,15)
InChIKeyGOZSMQGQDZSVEU-UHFFFAOYSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)pyrrolidine-1-carboxamide (CID 6470002) is N-(3-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)pyrrolidine-1-carboxamide is COc1cccc(NC(=O)N2CCCC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is GOZSMQGQDZSVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-11-6-4-5-10(9-11)13-12(15)14-7-2-3-8-14/h4-6,9H,2-3,7-8H2,1H3,(H,13,15).
What are the key properties of N-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
N-(3-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 6470002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).