trans-(1R,3R)-3-[(Z)-prop-1-enyl]cyclopentane-1-carboxylic acid

C9H14O2 — CID 131847672

IUPACtrans-(1R,3R)-3-[(Z)-prop-1-enyl]cyclopentane-1-carboxylic acid
SMILESC/C=C\[C@@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C9H14O2/c1-2-3-7-4-5-8(6-7)9(10)11/h2-3,7-8H,4-6H2,1H3,(H,10,11)/b3-2-/t7-,8-/m1/s1
InChIKeyIRONTZXPTFYNCQ-OUZXLXBKSA-N
MW154.21 g/mol
LogP2.06
Rot. Bonds2

About trans-(1R,3R)-3-[(Z)-prop-1-enyl]cyclopentane-1-carboxylic acid

trans-(1R,3R)-3-[(Z)-prop-1-enyl]cyclopentane-1-carboxylic acid (PubChem CID 131847672) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is trans-(1R,3R)-3-[(Z)-prop-1-enyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,3R)-3-[(Z)-prop-1-enyl]cyclopentane-1-carboxylic acid
PubChem CID131847672
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Nametrans-(1R,3R)-3-[(Z)-prop-1-enyl]cyclopentane-1-carboxylic acid
SMILESC/C=C\[C@@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C9H14O2/c1-2-3-7-4-5-8(6-7)9(10)11/h2-3,7-8H,4-6H2,1H3,(H,10,11)/b3-2-/t7-,8-/m1/s1
InChIKeyIRONTZXPTFYNCQ-OUZXLXBKSA-N
XLogP2.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-[(Z)-prop-1-enyl]cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,3R)-3-[(Z)-prop-1-enyl]cyclopentane-1-carboxylic acid (CID 131847672) is trans-(1R,3R)-3-[(Z)-prop-1-enyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,3R)-3-[(Z)-prop-1-enyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,3R)-3-[(Z)-prop-1-enyl]cyclopentane-1-carboxylic acid is C/C=C\[C@@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of trans-(1R,3R)-3-[(Z)-prop-1-enyl]cyclopentane-1-carboxylic acid?
The InChIKey is IRONTZXPTFYNCQ-OUZXLXBKSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-3-7-4-5-8(6-7)9(10)11/h2-3,7-8H,4-6H2,1H3,(H,10,11)/b3-2-/t7-,8-/m1/s1.
What are the key properties of trans-(1R,3R)-3-[(Z)-prop-1-enyl]cyclopentane-1-carboxylic acid?
trans-(1R,3R)-3-[(Z)-prop-1-enyl]cyclopentane-1-carboxylic acid has a molecular weight of 154.21 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-[(Z)-prop-1-enyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 131847672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).