2-[(4-propyloxetan-2-yl)methyl]aziridine

C9H17NO — CID 163538018

IUPAC2-[(4-propyloxetan-2-yl)methyl]aziridine
SMILESCCCC1CC(CC2CN2)O1
InChIInChI=1S/C9H17NO/c1-2-3-8-5-9(11-8)4-7-6-10-7/h7-10H,2-6H2,1H3
InChIKeyDYQWXRSRGRYDCK-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.31
Rot. Bonds4

About 2-[(4-propyloxetan-2-yl)methyl]aziridine

2-[(4-propyloxetan-2-yl)methyl]aziridine (PubChem CID 163538018) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-[(4-propyloxetan-2-yl)methyl]aziridine.

Molecular Properties

Compound Name2-[(4-propyloxetan-2-yl)methyl]aziridine
PubChem CID163538018
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-[(4-propyloxetan-2-yl)methyl]aziridine
SMILESCCCC1CC(CC2CN2)O1
InChIInChI=1S/C9H17NO/c1-2-3-8-5-9(11-8)4-7-6-10-7/h7-10H,2-6H2,1H3
InChIKeyDYQWXRSRGRYDCK-UHFFFAOYSA-N
XLogP1.31
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-propylaziridine
CID 544792
(2R,4S,6S)-4-chloro-2-methyl-6-propyloxane
CID 131010757
2-(aziridin-2-ylmethyl)aziridine
CID 163931540
2-pentylaziridine
CID 19101061
[(2S,5S)-3-methyl-5-propyloxolan-2-yl]methanol
CID 159262400
ethane;4-methyl-2-propylpyrrolidine
CID 170743275
(2R)-2-butylpiperazine
CID 11182666
(2S,4R,6S)-2-(butoxymethyl)-6-propyloxan-4-ol
CID 102294671
3-propyldioxetane
CID 20778371
[(2S,4R)-4-propylpyrrolidin-2-yl]methanol
CID 89351797
(2S,4S)-4-ethoxy-2-propylpyrrolidine
CID 99994308
2-[(2S,5S)-5-propyloxolan-2-yl]acetonitrile
CID 118030297

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propyloxetan-2-yl)methyl]aziridine?
The IUPAC name of 2-[(4-propyloxetan-2-yl)methyl]aziridine (CID 163538018) is 2-[(4-propyloxetan-2-yl)methyl]aziridine.
What is the SMILES notation for 2-[(4-propyloxetan-2-yl)methyl]aziridine?
The canonical SMILES for 2-[(4-propyloxetan-2-yl)methyl]aziridine is CCCC1CC(CC2CN2)O1.
What is the InChIKey of 2-[(4-propyloxetan-2-yl)methyl]aziridine?
The InChIKey is DYQWXRSRGRYDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-8-5-9(11-8)4-7-6-10-7/h7-10H,2-6H2,1H3.
What are the key properties of 2-[(4-propyloxetan-2-yl)methyl]aziridine?
2-[(4-propyloxetan-2-yl)methyl]aziridine has a molecular weight of 155.24 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propyloxetan-2-yl)methyl]aziridine is sourced from PubChem (CID 163538018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).