trans-(1S,2R)-2-(1-methylpyrrol-2-yl)cyclopentane-1-carbaldehyde

C11H15NO — CID 11513848

IUPACtrans-(1S,2R)-2-(1-methylpyrrol-2-yl)cyclopentane-1-carbaldehyde
SMILESCn1cccc1[C@@H]1CCC[C@@H]1C=O
InChIInChI=1S/C11H15NO/c1-12-7-3-6-11(12)10-5-2-4-9(10)8-13/h3,6-10H,2,4-5H2,1H3/t9-,10-/m1/s1
InChIKeySCEUYGYPSXRQJN-NXEZZACHSA-N
MW177.25 g/mol
LogP2.11
Rot. Bonds2

About trans-(1S,2R)-2-(1-methylpyrrol-2-yl)cyclopentane-1-carbaldehyde

trans-(1S,2R)-2-(1-methylpyrrol-2-yl)cyclopentane-1-carbaldehyde (PubChem CID 11513848) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is trans-(1S,2R)-2-(1-methylpyrrol-2-yl)cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(1-methylpyrrol-2-yl)cyclopentane-1-carbaldehyde
PubChem CID11513848
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Nametrans-(1S,2R)-2-(1-methylpyrrol-2-yl)cyclopentane-1-carbaldehyde
SMILESCn1cccc1[C@@H]1CCC[C@@H]1C=O
InChIInChI=1S/C11H15NO/c1-12-7-3-6-11(12)10-5-2-4-9(10)8-13/h3,6-10H,2,4-5H2,1H3/t9-,10-/m1/s1
InChIKeySCEUYGYPSXRQJN-NXEZZACHSA-N
XLogP2.11
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.11
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-(1S,2R)-2-(1-methylpyrrol-2-yl)cyclopentane-1-carbaldehyde?
The IUPAC name of trans-(1S,2R)-2-(1-methylpyrrol-2-yl)cyclopentane-1-carbaldehyde (CID 11513848) is trans-(1S,2R)-2-(1-methylpyrrol-2-yl)cyclopentane-1-carbaldehyde.
What is the SMILES notation for trans-(1S,2R)-2-(1-methylpyrrol-2-yl)cyclopentane-1-carbaldehyde?
The canonical SMILES for trans-(1S,2R)-2-(1-methylpyrrol-2-yl)cyclopentane-1-carbaldehyde is Cn1cccc1[C@@H]1CCC[C@@H]1C=O.
What is the InChIKey of trans-(1S,2R)-2-(1-methylpyrrol-2-yl)cyclopentane-1-carbaldehyde?
The InChIKey is SCEUYGYPSXRQJN-NXEZZACHSA-N. The full InChI is InChI=1S/C11H15NO/c1-12-7-3-6-11(12)10-5-2-4-9(10)8-13/h3,6-10H,2,4-5H2,1H3/t9-,10-/m1/s1.
What are the key properties of trans-(1S,2R)-2-(1-methylpyrrol-2-yl)cyclopentane-1-carbaldehyde?
trans-(1S,2R)-2-(1-methylpyrrol-2-yl)cyclopentane-1-carbaldehyde has a molecular weight of 177.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(1-methylpyrrol-2-yl)cyclopentane-1-carbaldehyde is sourced from PubChem (CID 11513848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).