cis-(1S,2R)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxylic acid

C7H10O2 — CID 90666534

IUPACcis-(1S,2R)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxylic acid
SMILESC/C=C/[C@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C7H10O2/c1-2-3-5-4-6(5)7(8)9/h2-3,5-6H,4H2,1H3,(H,8,9)/b3-2+/t5-,6-/m0/s1
InChIKeyPRZQPSLYCHHZRK-KXQHVCLCSA-N
MW126.15 g/mol
LogP1.28
Rot. Bonds2

About cis-(1S,2R)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxylic acid (PubChem CID 90666534) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxylic acid
PubChem CID90666534
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Namecis-(1S,2R)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxylic acid
SMILESC/C=C/[C@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C7H10O2/c1-2-3-5-4-6(5)7(8)9/h2-3,5-6H,4H2,1H3,(H,8,9)/b3-2+/t5-,6-/m0/s1
InChIKeyPRZQPSLYCHHZRK-KXQHVCLCSA-N
XLogP1.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.28
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

cis-(1R,2S)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxamide
CID 55283762
ethyl 2-prop-1-enylcyclopropane-1-carboxylate
CID 556831
trans-(1S,2S)-2-[(E)-3-aminoprop-1-enyl]cyclopropane-1-carboxylic acid
CID 55284867
(1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid
CID 143897565
2-(3-ethoxy-3-oxoprop-1-enyl)cyclopropane-1-carboxylic acid
CID 70577811
2-non-1-enylcyclopropane-1-carboxylic acid
CID 57032997
2-(2-prop-1-enylcyclopropyl)acetic acid
CID 123975419
trans-(1R,3R)-3-[(Z)-prop-1-enyl]cyclopentane-1-carboxylic acid
CID 131847672
trans-(1S,2S)-1,2-bis[(E)-prop-1-enyl]cyclopropane
CID 134897688
5-formyl-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid
CID 142059042
2-(3-butoxy-3-oxoprop-1-enyl)cyclopropane-1-carboxylic acid
CID 54406379
(2S)-2-methylcyclopropane-1-carboxylic acid
CID 70278837

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxylic acid (CID 90666534) is cis-(1S,2R)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxylic acid is C/C=C/[C@H]1C[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxylic acid?
The InChIKey is PRZQPSLYCHHZRK-KXQHVCLCSA-N. The full InChI is InChI=1S/C7H10O2/c1-2-3-5-4-6(5)7(8)9/h2-3,5-6H,4H2,1H3,(H,8,9)/b3-2+/t5-,6-/m0/s1.
What are the key properties of cis-(1S,2R)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxylic acid has a molecular weight of 126.15 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 90666534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).