trans-(1R,2S)-2-(2-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carbaldehyde

C11H19NO — CID 125425363

IUPACtrans-(1R,2S)-2-(2-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carbaldehyde
SMILESCC(C)([C@H]1C[C@H]1C=O)N1CCCC1
InChIInChI=1S/C11H19NO/c1-11(2,10-7-9(10)8-13)12-5-3-4-6-12/h8-10H,3-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyCKCCSQGWXPQUPW-UWVGGRQHSA-N
MW181.28 g/mol
LogP1.70
Rot. Bonds3

About trans-(1R,2S)-2-(2-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carbaldehyde

trans-(1R,2S)-2-(2-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carbaldehyde (PubChem CID 125425363) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is trans-(1R,2S)-2-(2-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(2-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carbaldehyde
PubChem CID125425363
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nametrans-(1R,2S)-2-(2-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carbaldehyde
SMILESCC(C)([C@H]1C[C@H]1C=O)N1CCCC1
InChIInChI=1S/C11H19NO/c1-11(2,10-7-9(10)8-13)12-5-3-4-6-12/h8-10H,3-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyCKCCSQGWXPQUPW-UWVGGRQHSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(2-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carbaldehyde?
The IUPAC name of trans-(1R,2S)-2-(2-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carbaldehyde (CID 125425363) is trans-(1R,2S)-2-(2-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for trans-(1R,2S)-2-(2-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carbaldehyde?
The canonical SMILES for trans-(1R,2S)-2-(2-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carbaldehyde is CC(C)([C@H]1C[C@H]1C=O)N1CCCC1.
What is the InChIKey of trans-(1R,2S)-2-(2-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carbaldehyde?
The InChIKey is CKCCSQGWXPQUPW-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(2,10-7-9(10)8-13)12-5-3-4-6-12/h8-10H,3-7H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of trans-(1R,2S)-2-(2-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carbaldehyde?
trans-(1R,2S)-2-(2-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carbaldehyde has a molecular weight of 181.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(2-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 125425363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).