(2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbaldehyde

C7H11NO — CID 166497008

IUPAC(2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbaldehyde
SMILESCN1[C@H](C2CC2)[C@@H]1C=O
InChIInChI=1S/C7H11NO/c1-8-6(4-9)7(8)5-2-3-5/h4-7H,2-3H2,1H3/t6-,7+,8?/m0/s1
InChIKeyBJXWINJEZRKANB-KJFJCRTCSA-N
MW125.17 g/mol
LogP0.28
Rot. Bonds2

About (2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbaldehyde

(2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbaldehyde (PubChem CID 166497008) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbaldehyde
PubChem CID166497008
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbaldehyde
SMILESCN1[C@H](C2CC2)[C@@H]1C=O
InChIInChI=1S/C7H11NO/c1-8-6(4-9)7(8)5-2-3-5/h4-7H,2-3H2,1H3/t6-,7+,8?/m0/s1
InChIKeyBJXWINJEZRKANB-KJFJCRTCSA-N
XLogP0.28
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-3-cyclopropyl-1-(2,2-difluoroethyl)aziridine-2-carbaldehyde
CID 176875081
(1S,2S,5R)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde
CID 146214552
(2S,5S)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde
CID 146214640
(2R)-3-cyclopropyl-1-[(R)-(4-methylphenyl)sulfinyl]aziridine-2-carbaldehyde
CID 166496998
(3S,4R)-1,4-dimethyl-3-propan-2-ylpyrrolidine-2-carbaldehyde
CID 172579665
3-bromo-1-methylpyrrolidine-2-carbaldehyde
CID 174611637
(1R,3S,4R)-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptane-3-carbaldehyde
CID 132564041
2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptane-3-carbaldehyde
CID 135072267
bicyclo[2.2.1]heptane-7-carbaldehyde
CID 84647822
(3-cyclopropyl-1-methylaziridin-2-yl)-piperazin-1-ylmethanone
CID 177002494
4-cyclopropylcyclohexane-1-carbaldehyde
CID 149055202
bicyclo[2.2.1]heptane-2,3-dicarbaldehyde
CID 13411221

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbaldehyde?
The IUPAC name of (2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbaldehyde (CID 166497008) is (2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbaldehyde.
What is the SMILES notation for (2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbaldehyde?
The canonical SMILES for (2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbaldehyde is CN1[C@H](C2CC2)[C@@H]1C=O.
What is the InChIKey of (2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbaldehyde?
The InChIKey is BJXWINJEZRKANB-KJFJCRTCSA-N. The full InChI is InChI=1S/C7H11NO/c1-8-6(4-9)7(8)5-2-3-5/h4-7H,2-3H2,1H3/t6-,7+,8?/m0/s1.
What are the key properties of (2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbaldehyde?
(2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbaldehyde has a molecular weight of 125.17 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbaldehyde is sourced from PubChem (CID 166497008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).