[(2R,3S)-3-cyclopropylaziridin-2-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone

C14H24N2O — CID 176610704

IUPAC[(2R,3S)-3-cyclopropylaziridin-2-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
SMILESCC(C)CC1CCN(C(=O)[C@@H]2N[C@H]2C2CC2)C1
InChIInChI=1S/C14H24N2O/c1-9(2)7-10-5-6-16(8-10)14(17)13-12(15-13)11-3-4-11/h9-13,15H,3-8H2,1-2H3/t10?,12-,13+/m0/s1
InChIKeyHKFREBHWGOJOLV-HEVMSJOKSA-N
MW236.36 g/mol
LogP1.63
Rot. Bonds4

About [(2R,3S)-3-cyclopropylaziridin-2-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone

[(2R,3S)-3-cyclopropylaziridin-2-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone (PubChem CID 176610704) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is [(2R,3S)-3-cyclopropylaziridin-2-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R,3S)-3-cyclopropylaziridin-2-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
PubChem CID176610704
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name[(2R,3S)-3-cyclopropylaziridin-2-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
SMILESCC(C)CC1CCN(C(=O)[C@@H]2N[C@H]2C2CC2)C1
InChIInChI=1S/C14H24N2O/c1-9(2)7-10-5-6-16(8-10)14(17)13-12(15-13)11-3-4-11/h9-13,15H,3-8H2,1-2H3/t10?,12-,13+/m0/s1
InChIKeyHKFREBHWGOJOLV-HEVMSJOKSA-N
XLogP1.63
TPSA42.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.63
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

(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781903
[(2R,3S)-2-methylmorpholin-3-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120932218
(9-amino-3-bicyclo[3.3.1]nonanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120991436
(3-aminocyclopentyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781901
[(2R,3S)-3-cyclopropylaziridin-2-yl]-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methanone
CID 170055113
N-chloro-3-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 168862236
(1-aminocyclopropyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781887
2-amino-1-[3-(2-methylpropyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 119322626
[3-(2-methylpropyl)piperidin-1-yl]-piperidin-2-ylmethanone
CID 119337354
2-methyl-3-(methylamino)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119781918
2,2-dimethyl-N-[2-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide
CID 95905898
[4-(1-methylpiperidin-4-yl)cyclohexyl]-[4-(2-methylpropyl)piperidin-1-yl]methanone
CID 167480031

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-cyclopropylaziridin-2-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(2R,3S)-3-cyclopropylaziridin-2-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone (CID 176610704) is [(2R,3S)-3-cyclopropylaziridin-2-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(2R,3S)-3-cyclopropylaziridin-2-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(2R,3S)-3-cyclopropylaziridin-2-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone is CC(C)CC1CCN(C(=O)[C@@H]2N[C@H]2C2CC2)C1.
What is the InChIKey of [(2R,3S)-3-cyclopropylaziridin-2-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone?
The InChIKey is HKFREBHWGOJOLV-HEVMSJOKSA-N. The full InChI is InChI=1S/C14H24N2O/c1-9(2)7-10-5-6-16(8-10)14(17)13-12(15-13)11-3-4-11/h9-13,15H,3-8H2,1-2H3/t10?,12-,13+/m0/s1.
What are the key properties of [(2R,3S)-3-cyclopropylaziridin-2-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone?
[(2R,3S)-3-cyclopropylaziridin-2-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone has a molecular weight of 236.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-cyclopropylaziridin-2-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 176610704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).