1-[(1R,2S)-2-ethynylcyclopropyl]pentan-1-one

C10H14O — CID 101155162

IUPAC1-[(1R,2S)-2-ethynylcyclopropyl]pentan-1-one
SMILESC#C[C@H]1C[C@H]1C(=O)CCCC
InChIInChI=1S/C10H14O/c1-3-5-6-10(11)9-7-8(9)4-2/h2,8-9H,3,5-7H2,1H3/t8-,9+/m0/s1
InChIKeyVCZDEOCWUQXLJE-DTWKUNHWSA-N
MW150.22 g/mol
LogP2.02
Rot. Bonds4

About 1-[(1R,2S)-2-ethynylcyclopropyl]pentan-1-one

1-[(1R,2S)-2-ethynylcyclopropyl]pentan-1-one (PubChem CID 101155162) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-[(1R,2S)-2-ethynylcyclopropyl]pentan-1-one.

Molecular Properties

Compound Name1-[(1R,2S)-2-ethynylcyclopropyl]pentan-1-one
PubChem CID101155162
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-[(1R,2S)-2-ethynylcyclopropyl]pentan-1-one
SMILESC#C[C@H]1C[C@H]1C(=O)CCCC
InChIInChI=1S/C10H14O/c1-3-5-6-10(11)9-7-8(9)4-2/h2,8-9H,3,5-7H2,1H3/t8-,9+/m0/s1
InChIKeyVCZDEOCWUQXLJE-DTWKUNHWSA-N
XLogP2.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-ethynylcyclopropyl]pentan-1-one?
The IUPAC name of 1-[(1R,2S)-2-ethynylcyclopropyl]pentan-1-one (CID 101155162) is 1-[(1R,2S)-2-ethynylcyclopropyl]pentan-1-one.
What is the SMILES notation for 1-[(1R,2S)-2-ethynylcyclopropyl]pentan-1-one?
The canonical SMILES for 1-[(1R,2S)-2-ethynylcyclopropyl]pentan-1-one is C#C[C@H]1C[C@H]1C(=O)CCCC.
What is the InChIKey of 1-[(1R,2S)-2-ethynylcyclopropyl]pentan-1-one?
The InChIKey is VCZDEOCWUQXLJE-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H14O/c1-3-5-6-10(11)9-7-8(9)4-2/h2,8-9H,3,5-7H2,1H3/t8-,9+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-ethynylcyclopropyl]pentan-1-one?
1-[(1R,2S)-2-ethynylcyclopropyl]pentan-1-one has a molecular weight of 150.22 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-ethynylcyclopropyl]pentan-1-one is sourced from PubChem (CID 101155162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).