trans-(1S,2S)-1,2-bis[(E)-prop-1-enyl]cyclopropane

C9H14 — CID 134897688

IUPACtrans-(1S,2S)-1,2-bis[(E)-prop-1-enyl]cyclopropane
SMILESC/C=C/[C@@H]1C[C@H]1/C=C/C
InChIInChI=1S/C9H14/c1-3-5-8-7-9(8)6-4-2/h3-6,8-9H,7H2,1-2H3/b5-3+,6-4+/t8-,9-/m1/s1
InChIKeyTTYIJTXBBRUWBF-NAPQWHRRSA-N
MW122.21 g/mol
LogP2.77
Rot. Bonds2

About trans-(1S,2S)-1,2-bis[(E)-prop-1-enyl]cyclopropane

trans-(1S,2S)-1,2-bis[(E)-prop-1-enyl]cyclopropane (PubChem CID 134897688) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is trans-(1S,2S)-1,2-bis[(E)-prop-1-enyl]cyclopropane.

Molecular Properties

Compound Nametrans-(1S,2S)-1,2-bis[(E)-prop-1-enyl]cyclopropane
PubChem CID134897688
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Nametrans-(1S,2S)-1,2-bis[(E)-prop-1-enyl]cyclopropane
SMILESC/C=C/[C@@H]1C[C@H]1/C=C/C
InChIInChI=1S/C9H14/c1-3-5-8-7-9(8)6-4-2/h3-6,8-9H,7H2,1-2H3/b5-3+,6-4+/t8-,9-/m1/s1
InChIKeyTTYIJTXBBRUWBF-NAPQWHRRSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethyl-2-[(E)-prop-1-enyl]cyclopentane
CID 20661398
cis-(1S,2R)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxylic acid
CID 90666534
2-[[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]methyl]-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 157315258
2-[2-[(E)-prop-1-enyl]cyclopropyl]propan-1-ol
CID 130151949
cis-(1R,2S)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxamide
CID 55283762
(1S,4S)-5-[(E)-prop-1-enyl]bicyclo[2.2.1]hept-2-ene
CID 58746218
3-[(E)-prop-1-enyl]bicyclo[3.1.0]hexane
CID 154516435
2-(2-prop-1-enylcyclopropyl)acetic acid
CID 123975419
(1S)-2-[(Z)-prop-1-enyl]cyclohexane-1-carbaldehyde
CID 173500000
4-methyl-5-prop-1-enylcyclohexene
CID 123539934
1-methylidene-2-prop-1-enylcyclopropane
CID 123638122
trans-(1R,2S)-2-[(Z)-prop-1-enyl]cyclobutane-1-carbonitrile
CID 101207318

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1,2-bis[(E)-prop-1-enyl]cyclopropane?
The IUPAC name of trans-(1S,2S)-1,2-bis[(E)-prop-1-enyl]cyclopropane (CID 134897688) is trans-(1S,2S)-1,2-bis[(E)-prop-1-enyl]cyclopropane.
What is the SMILES notation for trans-(1S,2S)-1,2-bis[(E)-prop-1-enyl]cyclopropane?
The canonical SMILES for trans-(1S,2S)-1,2-bis[(E)-prop-1-enyl]cyclopropane is C/C=C/[C@@H]1C[C@H]1/C=C/C.
What is the InChIKey of trans-(1S,2S)-1,2-bis[(E)-prop-1-enyl]cyclopropane?
The InChIKey is TTYIJTXBBRUWBF-NAPQWHRRSA-N. The full InChI is InChI=1S/C9H14/c1-3-5-8-7-9(8)6-4-2/h3-6,8-9H,7H2,1-2H3/b5-3+,6-4+/t8-,9-/m1/s1.
What are the key properties of trans-(1S,2S)-1,2-bis[(E)-prop-1-enyl]cyclopropane?
trans-(1S,2S)-1,2-bis[(E)-prop-1-enyl]cyclopropane has a molecular weight of 122.21 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1,2-bis[(E)-prop-1-enyl]cyclopropane is sourced from PubChem (CID 134897688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).