(5-prop-2-enyl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine

C12H17N — CID 123606155

IUPAC(5-prop-2-enyl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine
SMILESC=CCC1=CC=C(CN)C2CC2C1
InChIInChI=1S/C12H17N/c1-2-3-9-4-5-10(8-13)12-7-11(12)6-9/h2,4-5,11-12H,1,3,6-8,13H2
InChIKeyMQANUWSYEBREAB-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.41
Rot. Bonds3

About (5-prop-2-enyl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine

(5-prop-2-enyl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine (PubChem CID 123606155) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (5-prop-2-enyl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine.

Molecular Properties

Compound Name(5-prop-2-enyl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine
PubChem CID123606155
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(5-prop-2-enyl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine
SMILESC=CCC1=CC=C(CN)C2CC2C1
InChIInChI=1S/C12H17N/c1-2-3-9-4-5-10(8-13)12-7-11(12)6-9/h2,4-5,11-12H,1,3,6-8,13H2
InChIKeyMQANUWSYEBREAB-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.41
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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2,5,6-tris(prop-2-enyl)-1H-indene
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(4S)-4-hydroxy-2-prop-2-enylcyclopent-2-en-1-one
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2-(aminomethyl)cycloprop-2-ene-1-carbaldehyde
CID 173481786
2-[(4-aminocyclohexyl)methyl]-6-prop-2-enylaniline
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Frequently Asked Questions

What is the IUPAC name of (5-prop-2-enyl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine?
The IUPAC name of (5-prop-2-enyl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine (CID 123606155) is (5-prop-2-enyl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine.
What is the SMILES notation for (5-prop-2-enyl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine?
The canonical SMILES for (5-prop-2-enyl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine is C=CCC1=CC=C(CN)C2CC2C1.
What is the InChIKey of (5-prop-2-enyl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine?
The InChIKey is MQANUWSYEBREAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-2-3-9-4-5-10(8-13)12-7-11(12)6-9/h2,4-5,11-12H,1,3,6-8,13H2.
What are the key properties of (5-prop-2-enyl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine?
(5-prop-2-enyl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine has a molecular weight of 175.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-prop-2-enyl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine is sourced from PubChem (CID 123606155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).