N-cyclopropylindolizine-2-carboxamide

C12H12N2O — CID 20974358

IUPACN-cyclopropylindolizine-2-carboxamide
SMILESO=C(NC1CC1)c1cc2ccccn2c1
InChIInChI=1S/C12H12N2O/c15-12(13-10-4-5-10)9-7-11-3-1-2-6-14(11)8-9/h1-3,6-8,10H,4-5H2,(H,13,15)
InChIKeyMFRYWDZCKYQCDJ-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.83
Rot. Bonds2

About N-cyclopropylindolizine-2-carboxamide

N-cyclopropylindolizine-2-carboxamide (PubChem CID 20974358) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is N-cyclopropylindolizine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropylindolizine-2-carboxamide
PubChem CID20974358
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC NameN-cyclopropylindolizine-2-carboxamide
SMILESO=C(NC1CC1)c1cc2ccccn2c1
InChIInChI=1S/C12H12N2O/c15-12(13-10-4-5-10)9-7-11-3-1-2-6-14(11)8-9/h1-3,6-8,10H,4-5H2,(H,13,15)
InChIKeyMFRYWDZCKYQCDJ-UHFFFAOYSA-N
XLogP1.83
TPSA33.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylindolizine-2-carboxamide?
The IUPAC name of N-cyclopropylindolizine-2-carboxamide (CID 20974358) is N-cyclopropylindolizine-2-carboxamide.
What is the SMILES notation for N-cyclopropylindolizine-2-carboxamide?
The canonical SMILES for N-cyclopropylindolizine-2-carboxamide is O=C(NC1CC1)c1cc2ccccn2c1.
What is the InChIKey of N-cyclopropylindolizine-2-carboxamide?
The InChIKey is MFRYWDZCKYQCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c15-12(13-10-4-5-10)9-7-11-3-1-2-6-14(11)8-9/h1-3,6-8,10H,4-5H2,(H,13,15).
What are the key properties of N-cyclopropylindolizine-2-carboxamide?
N-cyclopropylindolizine-2-carboxamide has a molecular weight of 200.24 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylindolizine-2-carboxamide is sourced from PubChem (CID 20974358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).