N-[3-(1,3-dioxolan-2-yl)phenyl]pyrrolidine-3-carboxamide

C14H18N2O3 — CID 106911880

IUPACN-[3-(1,3-dioxolan-2-yl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(C2OCCO2)c1)C1CCNC1
InChIInChI=1S/C14H18N2O3/c17-13(11-4-5-15-9-11)16-12-3-1-2-10(8-12)14-18-6-7-19-14/h1-3,8,11,14-15H,4-7,9H2,(H,16,17)
InChIKeyLURCDCIVUPOJAU-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.28
Rot. Bonds3

About N-[3-(1,3-dioxolan-2-yl)phenyl]pyrrolidine-3-carboxamide

N-[3-(1,3-dioxolan-2-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 106911880) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[3-(1,3-dioxolan-2-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxolan-2-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID106911880
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[3-(1,3-dioxolan-2-yl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(C2OCCO2)c1)C1CCNC1
InChIInChI=1S/C14H18N2O3/c17-13(11-4-5-15-9-11)16-12-3-1-2-10(8-12)14-18-6-7-19-14/h1-3,8,11,14-15H,4-7,9H2,(H,16,17)
InChIKeyLURCDCIVUPOJAU-UHFFFAOYSA-N
XLogP1.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[3-(1-methylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide
CID 166276779
3-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]cyclopentane-1-carboxamide
CID 106911930
N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 63006855
(3R)-N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 94916708
N-[3-(1,3-dioxolan-2-yl)phenyl]piperidine-2-carboxamide
CID 106911956
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea
CID 13101482
N-[3-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119740159
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932
N-[3-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55148926
N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119752027
N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839204

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxolan-2-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(1,3-dioxolan-2-yl)phenyl]pyrrolidine-3-carboxamide (CID 106911880) is N-[3-(1,3-dioxolan-2-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(1,3-dioxolan-2-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(1,3-dioxolan-2-yl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1cccc(C2OCCO2)c1)C1CCNC1.
What is the InChIKey of N-[3-(1,3-dioxolan-2-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is LURCDCIVUPOJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(11-4-5-15-9-11)16-12-3-1-2-10(8-12)14-18-6-7-19-14/h1-3,8,11,14-15H,4-7,9H2,(H,16,17).
What are the key properties of N-[3-(1,3-dioxolan-2-yl)phenyl]pyrrolidine-3-carboxamide?
N-[3-(1,3-dioxolan-2-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxolan-2-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 106911880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).