8-(azidomethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]

C10H16N4 — CID 118121104

IUPAC8-(azidomethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]
SMILES[N-]=[N+]=NCC12CCCN1CC1(CC1)C2
InChIInChI=1S/C10H16N4/c11-13-12-7-10-2-1-5-14(10)8-9(6-10)3-4-9/h1-8H2
InChIKeyMLVBKJKYZCMLEO-UHFFFAOYSA-N
MW192.27 g/mol
LogP2.32
Rot. Bonds2

About 8-(azidomethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]

8-(azidomethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane] (PubChem CID 118121104) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 8-(azidomethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane].

Molecular Properties

Compound Name8-(azidomethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]
PubChem CID118121104
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name8-(azidomethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]
SMILES[N-]=[N+]=NCC12CCCN1CC1(CC1)C2
InChIInChI=1S/C10H16N4/c11-13-12-7-10-2-1-5-14(10)8-9(6-10)3-4-9/h1-8H2
InChIKeyMLVBKJKYZCMLEO-UHFFFAOYSA-N
XLogP2.32
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 8-(azidomethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane] with MolForge

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Related Compounds

spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]-8-ylmethanamine
CID 118121133
8-(2,2-dimethylpropyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]
CID 170939588
(5S)-5-(propan-2-yloxymethyl)spiro[1-azabicyclo[3.2.0]heptane-3,1'-cyclopropane]
CID 177126242
[(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol;ethane
CID 164904279
ethane;(8S)-8-ethyl-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 176919647
2-[(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]ethanol
CID 167178790
2-[1-(azidomethyl)cyclopropyl]acetonitrile
CID 65498011
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine
CID 10654304
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;hydrochloride
CID 12691221
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;methane
CID 164534379
8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine;hydrofluoride
CID 168881533
8-(nitromethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride
CID 14749486

Frequently Asked Questions

What is the IUPAC name of 8-(azidomethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]?
The IUPAC name of 8-(azidomethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane] (CID 118121104) is 8-(azidomethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane].
What is the SMILES notation for 8-(azidomethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]?
The canonical SMILES for 8-(azidomethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane] is [N-]=[N+]=NCC12CCCN1CC1(CC1)C2.
What is the InChIKey of 8-(azidomethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]?
The InChIKey is MLVBKJKYZCMLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c11-13-12-7-10-2-1-5-14(10)8-9(6-10)3-4-9/h1-8H2.
What are the key properties of 8-(azidomethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]?
8-(azidomethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane] has a molecular weight of 192.27 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(azidomethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane] is sourced from PubChem (CID 118121104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).