8-ethynyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine

C10H13N — CID 169448378

IUPAC8-ethynyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC#CC12CCCN1CC(=C)C2
InChIInChI=1S/C10H13N/c1-3-10-5-4-6-11(10)8-9(2)7-10/h1H,2,4-8H2
InChIKeyOHGANIUAEMAXSR-UHFFFAOYSA-N
MW147.22 g/mol
LogP1.41
Rot. Bonds

About 8-ethynyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine

8-ethynyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 169448378) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 8-ethynyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name8-ethynyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID169448378
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name8-ethynyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC#CC12CCCN1CC(=C)C2
InChIInChI=1S/C10H13N/c1-3-10-5-4-6-11(10)8-9(2)7-10/h1H,2,4-8H2
InChIKeyOHGANIUAEMAXSR-UHFFFAOYSA-N
XLogP1.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;8-(ethoxymethyl)-2,6-dimethylidene-1,3,5,7-tetrahydropyrrolizine;8-(ethoxymethyl)-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 176926604
3-methylidene-5-(sulfanyloxymethyl)-1-azabicyclo[3.2.0]heptane
CID 167178876
(8S)-3,3-dideuterio-8-methyl-6-methylidene-1,2,5,7-tetrahydropyrrolizine
CID 176835299
1-methyl-4-pyrrolidin-1-ylazepane-4-carbonitrile
CID 65072657
2-methylidene-1,3,5,6,7,8-hexahydropyrazolo[1,2-a]pyridazine
CID 59030492
8a-[[(1S)-1-iodoethoxy]methyl]-6-methylidene-1,2,3,5,7,8-hexahydroindolizine
CID 164922775
3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)prop-2-yn-1-amine
CID 121207240
2,6-bis(1-ethynylcyclohexyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 139077323
1-(4,4-difluoropiperidin-1-yl)cyclopentane-1-carbonitrile
CID 142602894
trimethyl-(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)azanium
CID 140581409
(2R)-2-ethynyl-1,2-dimethylpyrrolidine
CID 146049232
7-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[(6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methoxy]pyrido[4,3-d]pyrimidine
CID 174214166

Frequently Asked Questions

What is the IUPAC name of 8-ethynyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of 8-ethynyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 169448378) is 8-ethynyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for 8-ethynyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for 8-ethynyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine is C#CC12CCCN1CC(=C)C2.
What is the InChIKey of 8-ethynyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is OHGANIUAEMAXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-3-10-5-4-6-11(10)8-9(2)7-10/h1H,2,4-8H2.
What are the key properties of 8-ethynyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine?
8-ethynyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 147.22 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethynyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 169448378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).