2-[(1R,3R)-3-ethenyl-6-bicyclo[3.2.0]heptanyl]acetic acid;methanamine

C12H21NO2 — CID 145337566

IUPAC2-[(1R,3R)-3-ethenyl-6-bicyclo[3.2.0]heptanyl]acetic acid;methanamine
SMILESC=C[C@H]1CC2C(CC(=O)O)C[C@H]2C1.CN
InChIInChI=1S/C11H16O2.CH5N/c1-2-7-3-8-5-9(6-11(12)13)10(8)4-7;1-2/h2,7-10H,1,3-6H2,(H,12,13);2H2,1H3/t7-,8-,9?,10?;/m1./s1
InChIKeyPWSLGPMOLCJSBT-HYQVXADHSA-N
MW211.30 g/mol
LogP1.88
Rot. Bonds3

About 2-[(1R,3R)-3-ethenyl-6-bicyclo[3.2.0]heptanyl]acetic acid;methanamine

2-[(1R,3R)-3-ethenyl-6-bicyclo[3.2.0]heptanyl]acetic acid;methanamine (PubChem CID 145337566) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-[(1R,3R)-3-ethenyl-6-bicyclo[3.2.0]heptanyl]acetic acid;methanamine.

Molecular Properties

Compound Name2-[(1R,3R)-3-ethenyl-6-bicyclo[3.2.0]heptanyl]acetic acid;methanamine
PubChem CID145337566
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-[(1R,3R)-3-ethenyl-6-bicyclo[3.2.0]heptanyl]acetic acid;methanamine
SMILESC=C[C@H]1CC2C(CC(=O)O)C[C@H]2C1.CN
InChIInChI=1S/C11H16O2.CH5N/c1-2-7-3-8-5-9(6-11(12)13)10(8)4-7;1-2/h2,7-10H,1,3-6H2,(H,12,13);2H2,1H3/t7-,8-,9?,10?;/m1./s1
InChIKeyPWSLGPMOLCJSBT-HYQVXADHSA-N
XLogP1.88
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1R,3R)-3-ethenyl-6-bicyclo[3.2.0]heptanyl]acetic acid;methanamine with MolForge

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Related Compounds

2-[(3R,5R,6R)-3-ethynyl-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 129304326
2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)acetic acid
CID 122451932
2-[(1R,2R)-2-aminocyclopropyl]acetic acid;hydrochloride
CID 71769500
2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride
CID 71769504
2-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]acetic acid
CID 98048372
cis-(1R,3S)-3-ethenylcyclopentane-1-carboxylic acid
CID 11240528
2-(2-methylidenebutyl)bicyclo[2.1.0]pentane
CID 123554631
2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
CID 11401026
2-[(1R,2S)-2-fluorocyclopropyl]acetic acid
CID 162187891
2-(2-bromocyclopropyl)acetic acid
CID 12943906
2-(2-prop-1-enylcyclopropyl)acetic acid
CID 123975419
(4-ethenyl-2-methylcyclopentyl)methyl prop-2-enoate
CID 142801588

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3R)-3-ethenyl-6-bicyclo[3.2.0]heptanyl]acetic acid;methanamine?
The IUPAC name of 2-[(1R,3R)-3-ethenyl-6-bicyclo[3.2.0]heptanyl]acetic acid;methanamine (CID 145337566) is 2-[(1R,3R)-3-ethenyl-6-bicyclo[3.2.0]heptanyl]acetic acid;methanamine.
What is the SMILES notation for 2-[(1R,3R)-3-ethenyl-6-bicyclo[3.2.0]heptanyl]acetic acid;methanamine?
The canonical SMILES for 2-[(1R,3R)-3-ethenyl-6-bicyclo[3.2.0]heptanyl]acetic acid;methanamine is C=C[C@H]1CC2C(CC(=O)O)C[C@H]2C1.CN.
What is the InChIKey of 2-[(1R,3R)-3-ethenyl-6-bicyclo[3.2.0]heptanyl]acetic acid;methanamine?
The InChIKey is PWSLGPMOLCJSBT-HYQVXADHSA-N. The full InChI is InChI=1S/C11H16O2.CH5N/c1-2-7-3-8-5-9(6-11(12)13)10(8)4-7;1-2/h2,7-10H,1,3-6H2,(H,12,13);2H2,1H3/t7-,8-,9?,10?;/m1./s1.
What are the key properties of 2-[(1R,3R)-3-ethenyl-6-bicyclo[3.2.0]heptanyl]acetic acid;methanamine?
2-[(1R,3R)-3-ethenyl-6-bicyclo[3.2.0]heptanyl]acetic acid;methanamine has a molecular weight of 211.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3R)-3-ethenyl-6-bicyclo[3.2.0]heptanyl]acetic acid;methanamine is sourced from PubChem (CID 145337566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).