1-[(E)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-indene

C12H16 — CID 142636500

IUPAC1-[(E)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-indene
SMILESC/C=C/C1CCC2=C1C=CCC2
InChIInChI=1S/C12H16/c1-2-5-10-8-9-11-6-3-4-7-12(10)11/h2,4-5,7,10H,3,6,8-9H2,1H3/b5-2+
InChIKeyFRSDPKLIMSCGRL-GORDUTHDSA-N
MW160.26 g/mol
LogP3.62
Rot. Bonds1

About 1-[(E)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-indene

1-[(E)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-indene (PubChem CID 142636500) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-[(E)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-indene.

Molecular Properties

Compound Name1-[(E)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-indene
PubChem CID142636500
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name1-[(E)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-indene
SMILESC/C=C/C1CCC2=C1C=CCC2
InChIInChI=1S/C12H16/c1-2-5-10-8-9-11-6-3-4-7-12(10)11/h2,4-5,7,10H,3,6,8-9H2,1H3/b5-2+
InChIKeyFRSDPKLIMSCGRL-GORDUTHDSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.62
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

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(1S)-1,2,3,4,5,6-hexahydronaphthalen-1-amine
CID 143343680
3a,4,5,6,7,9b-hexahydrobenzo[e][1,3]benzodioxole
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ethane;N-(1,2,3,4,5,6-hexahydronaphthalen-1-yl)-N,2-dimethylpropanamide
CID 153344153
2-methylidene-3-[(Z)-prop-1-enyl]cyclopentan-1-one
CID 5384425
2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran
CID 134866027
3-methyl-2,3,6,7-tetrahydro-1-benzofuran
CID 89060479
2-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene
CID 101316618
1-but-2-enylidene-2-prop-1-enylcyclopentane
CID 131859563
3-ethenyl-1-methyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1H-indene
CID 142148041
4-ethyl-1,2-dimethyl-3-[(Z)-prop-1-enyl]-1,2,5,6-tetrahydronaphthalene
CID 143477485

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-indene?
The IUPAC name of 1-[(E)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-indene (CID 142636500) is 1-[(E)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-indene.
What is the SMILES notation for 1-[(E)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-indene?
The canonical SMILES for 1-[(E)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-indene is C/C=C/C1CCC2=C1C=CCC2.
What is the InChIKey of 1-[(E)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-indene?
The InChIKey is FRSDPKLIMSCGRL-GORDUTHDSA-N. The full InChI is InChI=1S/C12H16/c1-2-5-10-8-9-11-6-3-4-7-12(10)11/h2,4-5,7,10H,3,6,8-9H2,1H3/b5-2+.
What are the key properties of 1-[(E)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-indene?
1-[(E)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-indene has a molecular weight of 160.26 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-indene is sourced from PubChem (CID 142636500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).