(Z,1R)-1-cyclopropylbut-2-en-1-ol

C7H12O — CID 135079327

IUPAC(Z,1R)-1-cyclopropylbut-2-en-1-ol
SMILESC/C=C\[C@H](O)C1CC1
InChIInChI=1S/C7H12O/c1-2-3-7(8)6-4-5-6/h2-3,6-8H,4-5H2,1H3/b3-2-/t7-/m0/s1
InChIKeyKFLPUIOCUICVPT-XDVGHUOJSA-N
MW112.17 g/mol
LogP1.33
Rot. Bonds2

About (Z,1R)-1-cyclopropylbut-2-en-1-ol

(Z,1R)-1-cyclopropylbut-2-en-1-ol (PubChem CID 135079327) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (Z,1R)-1-cyclopropylbut-2-en-1-ol.

Molecular Properties

Compound Name(Z,1R)-1-cyclopropylbut-2-en-1-ol
PubChem CID135079327
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(Z,1R)-1-cyclopropylbut-2-en-1-ol
SMILESC/C=C\[C@H](O)C1CC1
InChIInChI=1S/C7H12O/c1-2-3-7(8)6-4-5-6/h2-3,6-8H,4-5H2,1H3/b3-2-/t7-/m0/s1
InChIKeyKFLPUIOCUICVPT-XDVGHUOJSA-N
XLogP1.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(Z)-1-(3-methyloxiran-2-yl)but-2-en-1-ol
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(Z)-1-(2,2,6-trimethylcyclohexyl)but-2-en-1-ol
CID 70601692
1-(3,4-dihydro-2H-pyran-2-yl)but-2-en-1-ol
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(2R,3R,4S)-3-ethenyl-2-[(E)-1-hydroxybut-2-enyl]-4-prop-1-en-2-ylcyclohexan-1-one
CID 134901283
(E)-1-(2,3,6,6-tetramethylcyclohex-2-en-1-yl)but-2-en-1-ol
CID 23338027
(3R)-3-[(E,1R)-1-hydroxybut-2-enyl]-1-phenylpyrrolidin-2-one
CID 129411928
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CID 123730864
(Z,1S,5S)-1,5-dicyclohexylpent-2-ene-1,5-diol
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Frequently Asked Questions

What is the IUPAC name of (Z,1R)-1-cyclopropylbut-2-en-1-ol?
The IUPAC name of (Z,1R)-1-cyclopropylbut-2-en-1-ol (CID 135079327) is (Z,1R)-1-cyclopropylbut-2-en-1-ol.
What is the SMILES notation for (Z,1R)-1-cyclopropylbut-2-en-1-ol?
The canonical SMILES for (Z,1R)-1-cyclopropylbut-2-en-1-ol is C/C=C\[C@H](O)C1CC1.
What is the InChIKey of (Z,1R)-1-cyclopropylbut-2-en-1-ol?
The InChIKey is KFLPUIOCUICVPT-XDVGHUOJSA-N. The full InChI is InChI=1S/C7H12O/c1-2-3-7(8)6-4-5-6/h2-3,6-8H,4-5H2,1H3/b3-2-/t7-/m0/s1.
What are the key properties of (Z,1R)-1-cyclopropylbut-2-en-1-ol?
(Z,1R)-1-cyclopropylbut-2-en-1-ol has a molecular weight of 112.17 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1R)-1-cyclopropylbut-2-en-1-ol is sourced from PubChem (CID 135079327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).