(1R)-1-methyl-3-oxocyclopentane-1-carbaldehyde

C7H10O2 — CID 11007903

IUPAC(1R)-1-methyl-3-oxocyclopentane-1-carbaldehyde
SMILESC[C@@]1(C=O)CCC(=O)C1
InChIInChI=1S/C7H10O2/c1-7(5-8)3-2-6(9)4-7/h5H,2-4H2,1H3/t7-/m1/s1
InChIKeyIOFQZMOQISWOBW-SSDOTTSWSA-N
MW126.15 g/mol
LogP0.94
Rot. Bonds1

About (1R)-1-methyl-3-oxocyclopentane-1-carbaldehyde

(1R)-1-methyl-3-oxocyclopentane-1-carbaldehyde (PubChem CID 11007903) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (1R)-1-methyl-3-oxocyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name(1R)-1-methyl-3-oxocyclopentane-1-carbaldehyde
PubChem CID11007903
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(1R)-1-methyl-3-oxocyclopentane-1-carbaldehyde
SMILESC[C@@]1(C=O)CCC(=O)C1
InChIInChI=1S/C7H10O2/c1-7(5-8)3-2-6(9)4-7/h5H,2-4H2,1H3/t7-/m1/s1
InChIKeyIOFQZMOQISWOBW-SSDOTTSWSA-N
XLogP0.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-oxocyclohexane-1-carbaldehyde
CID 13394827
3-methyl-3-prop-2-enylcyclopentan-1-one
CID 10034694
4,4-difluoro-3,3-dimethylcyclohexan-1-one
CID 156528016
3-hydroxy-3-iodocyclopentan-1-one
CID 163780598
4,4,7,7-tetramethylcyclononan-1-one
CID 21241719
potassium trifluoro-(1-methyl-3-oxocyclopentyl)boranuide
CID 154710074
cis-(1S,3S)-1,3-dimethyl-4-oxocyclopentane-1-carbaldehyde
CID 99995687
(1S)-2,2-dimethyl-5-oxocyclohexane-1-carbaldehyde
CID 45083822
(3S)-3-methyl-3-propylcyclopentan-1-one
CID 171036794
3,3-dimethylcycloheptan-1-one
CID 12702041
2,2-dimethyl-5-oxopiperidine-1-carbaldehyde
CID 138517273
(3R)-3-iodo-3-methylcyclohexan-1-one
CID 165020728

Frequently Asked Questions

What is the IUPAC name of (1R)-1-methyl-3-oxocyclopentane-1-carbaldehyde?
The IUPAC name of (1R)-1-methyl-3-oxocyclopentane-1-carbaldehyde (CID 11007903) is (1R)-1-methyl-3-oxocyclopentane-1-carbaldehyde.
What is the SMILES notation for (1R)-1-methyl-3-oxocyclopentane-1-carbaldehyde?
The canonical SMILES for (1R)-1-methyl-3-oxocyclopentane-1-carbaldehyde is C[C@@]1(C=O)CCC(=O)C1.
What is the InChIKey of (1R)-1-methyl-3-oxocyclopentane-1-carbaldehyde?
The InChIKey is IOFQZMOQISWOBW-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H10O2/c1-7(5-8)3-2-6(9)4-7/h5H,2-4H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-methyl-3-oxocyclopentane-1-carbaldehyde?
(1R)-1-methyl-3-oxocyclopentane-1-carbaldehyde has a molecular weight of 126.15 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methyl-3-oxocyclopentane-1-carbaldehyde is sourced from PubChem (CID 11007903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).