trans-(1R,3R)-N-(1-cyanocyclopropyl)-3-formylcyclopentane-1-carboxamide

C11H14N2O2 — CID 89008391

IUPACtrans-(1R,3R)-N-(1-cyanocyclopropyl)-3-formylcyclopentane-1-carboxamide
SMILESN#CC1(NC(=O)[C@@H]2CC[C@@H](C=O)C2)CC1
InChIInChI=1S/C11H14N2O2/c12-7-11(3-4-11)13-10(15)9-2-1-8(5-9)6-14/h6,8-9H,1-5H2,(H,13,15)/t8-,9-/m1/s1
InChIKeyASJXDOZMVSPNET-RKDXNWHRSA-N
MW206.24 g/mol
LogP0.77
Rot. Bonds3

About trans-(1R,3R)-N-(1-cyanocyclopropyl)-3-formylcyclopentane-1-carboxamide

trans-(1R,3R)-N-(1-cyanocyclopropyl)-3-formylcyclopentane-1-carboxamide (PubChem CID 89008391) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is trans-(1R,3R)-N-(1-cyanocyclopropyl)-3-formylcyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-N-(1-cyanocyclopropyl)-3-formylcyclopentane-1-carboxamide
PubChem CID89008391
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Nametrans-(1R,3R)-N-(1-cyanocyclopropyl)-3-formylcyclopentane-1-carboxamide
SMILESN#CC1(NC(=O)[C@@H]2CC[C@@H](C=O)C2)CC1
InChIInChI=1S/C11H14N2O2/c12-7-11(3-4-11)13-10(15)9-2-1-8(5-9)6-14/h6,8-9H,1-5H2,(H,13,15)/t8-,9-/m1/s1
InChIKeyASJXDOZMVSPNET-RKDXNWHRSA-N
XLogP0.77
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,3R)-N-(1-cyanocyclopropyl)-3-formylcyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-N-(1-cyanocyclopropyl)-3-formylcyclopentane-1-carboxamide (CID 89008391) is trans-(1R,3R)-N-(1-cyanocyclopropyl)-3-formylcyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-N-(1-cyanocyclopropyl)-3-formylcyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-N-(1-cyanocyclopropyl)-3-formylcyclopentane-1-carboxamide is N#CC1(NC(=O)[C@@H]2CC[C@@H](C=O)C2)CC1.
What is the InChIKey of trans-(1R,3R)-N-(1-cyanocyclopropyl)-3-formylcyclopentane-1-carboxamide?
The InChIKey is ASJXDOZMVSPNET-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-7-11(3-4-11)13-10(15)9-2-1-8(5-9)6-14/h6,8-9H,1-5H2,(H,13,15)/t8-,9-/m1/s1.
What are the key properties of trans-(1R,3R)-N-(1-cyanocyclopropyl)-3-formylcyclopentane-1-carboxamide?
trans-(1R,3R)-N-(1-cyanocyclopropyl)-3-formylcyclopentane-1-carboxamide has a molecular weight of 206.24 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-N-(1-cyanocyclopropyl)-3-formylcyclopentane-1-carboxamide is sourced from PubChem (CID 89008391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).