3-(cyanomethyl)-5,6,7,8-tetrahydroindolizine-2-carboxamide

C11H13N3O — CID 123295463

IUPAC3-(cyanomethyl)-5,6,7,8-tetrahydroindolizine-2-carboxamide
SMILESN#CCc1c(C(N)=O)cc2n1CCCC2
InChIInChI=1S/C11H13N3O/c12-5-4-10-9(11(13)15)7-8-3-1-2-6-14(8)10/h7H,1-4,6H2,(H2,13,15)
InChIKeyJRMQXAXMRDGXJW-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.99
Rot. Bonds2

About 3-(cyanomethyl)-5,6,7,8-tetrahydroindolizine-2-carboxamide

3-(cyanomethyl)-5,6,7,8-tetrahydroindolizine-2-carboxamide (PubChem CID 123295463) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(cyanomethyl)-5,6,7,8-tetrahydroindolizine-2-carboxamide.

Molecular Properties

Compound Name3-(cyanomethyl)-5,6,7,8-tetrahydroindolizine-2-carboxamide
PubChem CID123295463
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name3-(cyanomethyl)-5,6,7,8-tetrahydroindolizine-2-carboxamide
SMILESN#CCc1c(C(N)=O)cc2n1CCCC2
InChIInChI=1S/C11H13N3O/c12-5-4-10-9(11(13)15)7-8-3-1-2-6-14(8)10/h7H,1-4,6H2,(H2,13,15)
InChIKeyJRMQXAXMRDGXJW-UHFFFAOYSA-N
XLogP0.99
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-chloro-5,6,7,8-tetrahydroindolizine-3-carboxylate
CID 146496064
6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 134285038
1-(3-methyl-6,7-dihydro-5H-pyrrolizin-2-yl)pentane-1,4-dione
CID 91748242
4-acetyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethylamino)benzonitrile
CID 133466059
methyl 3-(4-acetamidobutyl)-6,7-dihydro-5H-pyrrolizine-2-carboxylate
CID 10062102
6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylic acid
CID 82409594
2-[4-(piperazine-1-carbonyl)phenyl]acetonitrile
CID 82179229
5-(hydroxymethyl)-2-piperidin-1-ylbenzamide
CID 68506696
ethyl 5-butyl-7-oxo-2,3-dihydro-1H-indolizine-6-carboxylate
CID 139775501
2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]acetonitrile
CID 153338332
1-(2-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanone
CID 6428845
2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]indolizine
CID 82415384

Frequently Asked Questions

What is the IUPAC name of 3-(cyanomethyl)-5,6,7,8-tetrahydroindolizine-2-carboxamide?
The IUPAC name of 3-(cyanomethyl)-5,6,7,8-tetrahydroindolizine-2-carboxamide (CID 123295463) is 3-(cyanomethyl)-5,6,7,8-tetrahydroindolizine-2-carboxamide.
What is the SMILES notation for 3-(cyanomethyl)-5,6,7,8-tetrahydroindolizine-2-carboxamide?
The canonical SMILES for 3-(cyanomethyl)-5,6,7,8-tetrahydroindolizine-2-carboxamide is N#CCc1c(C(N)=O)cc2n1CCCC2.
What is the InChIKey of 3-(cyanomethyl)-5,6,7,8-tetrahydroindolizine-2-carboxamide?
The InChIKey is JRMQXAXMRDGXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-5-4-10-9(11(13)15)7-8-3-1-2-6-14(8)10/h7H,1-4,6H2,(H2,13,15).
What are the key properties of 3-(cyanomethyl)-5,6,7,8-tetrahydroindolizine-2-carboxamide?
3-(cyanomethyl)-5,6,7,8-tetrahydroindolizine-2-carboxamide has a molecular weight of 203.24 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyanomethyl)-5,6,7,8-tetrahydroindolizine-2-carboxamide is sourced from PubChem (CID 123295463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).