(E)-3-(2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid

C10H14O2 — CID 122176743

IUPAC(E)-3-(2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid
SMILESO=C(O)/C=C/C1CC2CCC1C2
InChIInChI=1S/C10H14O2/c11-10(12)4-3-9-6-7-1-2-8(9)5-7/h3-4,7-9H,1-2,5-6H2,(H,11,12)/b4-3+
InChIKeyCVZJZTLSHVMYOU-ONEGZZNKSA-N
MW166.22 g/mol
LogP2.06
Rot. Bonds2

About (E)-3-(2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid

(E)-3-(2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid (PubChem CID 122176743) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (E)-3-(2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid
PubChem CID122176743
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(E)-3-(2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid
SMILESO=C(O)/C=C/C1CC2CCC1C2
InChIInChI=1S/C10H14O2/c11-10(12)4-3-9-6-7-1-2-8(9)5-7/h3-4,7-9H,1-2,5-6H2,(H,11,12)/b4-3+
InChIKeyCVZJZTLSHVMYOU-ONEGZZNKSA-N
XLogP2.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-(2-bicyclo[2.2.1]heptanylmethylamino)but-2-enoic acid
CID 103250955
(2R)-2-but-1-enylbicyclo[2.2.1]heptane
CID 173350379
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
(E)-4-(2-bicyclo[2.2.1]heptanyl)-3-methylbut-3-en-2-one
CID 6442027
2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid
CID 151505965
4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]amino]-4-oxobut-2-enoic acid
CID 77017047
(E)-3-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 81257541
N,N'-bis(2-bicyclo[2.2.1]heptanylmethylideneamino)hexanediamide
CID 3645839
(1R,2S,4S)-N,N-bis(prop-2-enyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11894734
N-[(Z)-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-N'-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]octanediamide
CID 100806176
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
adamantane;(E)-but-2-enedioic acid
CID 67357767

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid?
The IUPAC name of (E)-3-(2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid (CID 122176743) is (E)-3-(2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid is O=C(O)/C=C/C1CC2CCC1C2.
What is the InChIKey of (E)-3-(2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid?
The InChIKey is CVZJZTLSHVMYOU-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H14O2/c11-10(12)4-3-9-6-7-1-2-8(9)5-7/h3-4,7-9H,1-2,5-6H2,(H,11,12)/b4-3+.
What are the key properties of (E)-3-(2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid?
(E)-3-(2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid has a molecular weight of 166.22 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 (E)-3-(2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid is sourced from PubChem (CID 122176743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).