N-[(1S,3R)-3-formylcyclopentyl]-N-methylformamide

C8H13NO2 — CID 144814904

IUPACN-[(1S,3R)-3-formylcyclopentyl]-N-methylformamide
SMILESCN(C=O)[C@H]1CC[C@@H](C=O)C1
InChIInChI=1S/C8H13NO2/c1-9(6-11)8-3-2-7(4-8)5-10/h5-8H,2-4H2,1H3/t7-,8+/m1/s1
InChIKeyQFHFRONESSGEID-SFYZADRCSA-N
MW155.20 g/mol
LogP0.44
Rot. Bonds3

About N-[(1S,3R)-3-formylcyclopentyl]-N-methylformamide

N-[(1S,3R)-3-formylcyclopentyl]-N-methylformamide (PubChem CID 144814904) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-[(1S,3R)-3-formylcyclopentyl]-N-methylformamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-formylcyclopentyl]-N-methylformamide
PubChem CID144814904
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-[(1S,3R)-3-formylcyclopentyl]-N-methylformamide
SMILESCN(C=O)[C@H]1CC[C@@H](C=O)C1
InChIInChI=1S/C8H13NO2/c1-9(6-11)8-3-2-7(4-8)5-10/h5-8H,2-4H2,1H3/t7-,8+/m1/s1
InChIKeyQFHFRONESSGEID-SFYZADRCSA-N
XLogP0.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.44
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 N-[(1S,3R)-3-formylcyclopentyl]-N-methylformamide?
The IUPAC name of N-[(1S,3R)-3-formylcyclopentyl]-N-methylformamide (CID 144814904) is N-[(1S,3R)-3-formylcyclopentyl]-N-methylformamide.
What is the SMILES notation for N-[(1S,3R)-3-formylcyclopentyl]-N-methylformamide?
The canonical SMILES for N-[(1S,3R)-3-formylcyclopentyl]-N-methylformamide is CN(C=O)[C@H]1CC[C@@H](C=O)C1.
What is the InChIKey of N-[(1S,3R)-3-formylcyclopentyl]-N-methylformamide?
The InChIKey is QFHFRONESSGEID-SFYZADRCSA-N. The full InChI is InChI=1S/C8H13NO2/c1-9(6-11)8-3-2-7(4-8)5-10/h5-8H,2-4H2,1H3/t7-,8+/m1/s1.
What are the key properties of N-[(1S,3R)-3-formylcyclopentyl]-N-methylformamide?
N-[(1S,3R)-3-formylcyclopentyl]-N-methylformamide has a molecular weight of 155.20 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-formylcyclopentyl]-N-methylformamide is sourced from PubChem (CID 144814904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).