2-(1-methoxycyclopropyl)-3-methylaziridine

C7H13NO — CID 170056798

IUPAC2-(1-methoxycyclopropyl)-3-methylaziridine
SMILESCOC1(C2NC2C)CC1
InChIInChI=1S/C7H13NO/c1-5-6(8-5)7(9-2)3-4-7/h5-6,8H,3-4H2,1-2H3
InChIKeyZIEHHEJNBCTRJC-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.53
Rot. Bonds2

About 2-(1-methoxycyclopropyl)-3-methylaziridine

2-(1-methoxycyclopropyl)-3-methylaziridine (PubChem CID 170056798) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-(1-methoxycyclopropyl)-3-methylaziridine.

Molecular Properties

Compound Name2-(1-methoxycyclopropyl)-3-methylaziridine
PubChem CID170056798
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-(1-methoxycyclopropyl)-3-methylaziridine
SMILESCOC1(C2NC2C)CC1
InChIInChI=1S/C7H13NO/c1-5-6(8-5)7(9-2)3-4-7/h5-6,8H,3-4H2,1-2H3
InChIKeyZIEHHEJNBCTRJC-UHFFFAOYSA-N
XLogP0.53
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.53
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

trans-(1R,2R)-1-(1-methoxycyclopropyl)-2-methylcyclohexane
CID 12564478
1-cyclopropyl-1-methoxycyclopentane
CID 59169338
2-(1-methoxycyclopentyl)azetidine
CID 131187770
2-(1-methoxycyclopentyl)-5-methyl-1,3-thiazolidine
CID 131049087
4-(1-methoxycyclopentyl)piperidine
CID 130748165
2-(1-methoxycyclopropyl)-1-methylpyrrolidine
CID 168995708
(1-methoxycyclohexyl)cyclononane
CID 70179360
3-cyclopentyl-3-methoxyazetidine
CID 105430364
3-(1-methoxy-4-methylcyclohexyl)-2H-1,2,4-oxadiazole-5-thione
CID 116779622
1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-ol
CID 130128607
dimethyl (2R,3R,5S,6R)-2,6-dimethyl-4-oxopiperidine-3,5-dicarboxylate
CID 124925345
4-(1-methoxycyclohexyl)pyrrolidin-2-one
CID 126990628

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclopropyl)-3-methylaziridine?
The IUPAC name of 2-(1-methoxycyclopropyl)-3-methylaziridine (CID 170056798) is 2-(1-methoxycyclopropyl)-3-methylaziridine.
What is the SMILES notation for 2-(1-methoxycyclopropyl)-3-methylaziridine?
The canonical SMILES for 2-(1-methoxycyclopropyl)-3-methylaziridine is COC1(C2NC2C)CC1.
What is the InChIKey of 2-(1-methoxycyclopropyl)-3-methylaziridine?
The InChIKey is ZIEHHEJNBCTRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-6(8-5)7(9-2)3-4-7/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 2-(1-methoxycyclopropyl)-3-methylaziridine?
2-(1-methoxycyclopropyl)-3-methylaziridine has a molecular weight of 127.19 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclopropyl)-3-methylaziridine is sourced from PubChem (CID 170056798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).