2,3-dihydro-1H-pentalene

C8H8 — CID 91029970

IUPAC2,3-dihydro-1H-pentalene
SMILESC1=CC2=C(C=1)CCC2
InChIInChI=1S/C8H8/c1-3-7-5-2-6-8(7)4-1/h5-6H,1,3-4H2
InChIKeyIPLRMSGVLLZLBA-UHFFFAOYSA-N
MW104.15 g/mol
LogP2.19
Rot. Bonds

About 2,3-dihydro-1H-pentalene

2,3-dihydro-1H-pentalene (PubChem CID 91029970) has the molecular formula C8H8 and a molecular weight of 104.15 g/mol. Its IUPAC name is 2,3-dihydro-1H-pentalene.

Molecular Properties

Compound Name2,3-dihydro-1H-pentalene
PubChem CID91029970
Molecular FormulaC8H8
Molecular Weight104.15 g/mol
Exact Mass104.06
IUPAC Name2,3-dihydro-1H-pentalene
SMILESC1=CC2=C(C=1)CCC2
InChIInChI=1S/C8H8/c1-3-7-5-2-6-8(7)4-1/h5-6H,1,3-4H2
InChIKeyIPLRMSGVLLZLBA-UHFFFAOYSA-N
XLogP2.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-methyl-2,3-dihydro-1H-azulene
CID 123671849
6-methylbicyclo[3.2.0]hepta-1(5),6-diene
CID 91189897
5,6-dihydro-4H-pentalen-2-one
CID 12679298
ethane;6-methyl-2,3,4,5-tetrahydro-1H-indene
CID 144672111
4-methyl-7-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2,3-dihydro-1H-indene
CID 57157159
tetracyclo[7.7.2.13,15.17,11]icosa-1(16),2,7,9,11(20),15(19)-hexaene
CID 10934287
2,3-dihydrocyclohepta[b]thiophene;ethane
CID 143195799
ethane;2,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine
CID 177053758
(2Z,8Z)-tricyclo[8.2.0.04,7]dodeca-1(10),2,4(7),8-tetraene
CID 59575046
tricyclo[4.3.0.02,7]nona-1,6-diene
CID 149382388
tricyclo[10.3.1.14,8]heptadeca-1(15),4,7,12-tetraene-6,14,16,17-tetrone
CID 10107799
tricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10-hexaene
CID 154168790

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pentalene?
The IUPAC name of 2,3-dihydro-1H-pentalene (CID 91029970) is 2,3-dihydro-1H-pentalene.
What is the SMILES notation for 2,3-dihydro-1H-pentalene?
The canonical SMILES for 2,3-dihydro-1H-pentalene is C1=CC2=C(C=1)CCC2.
What is the InChIKey of 2,3-dihydro-1H-pentalene?
The InChIKey is IPLRMSGVLLZLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8/c1-3-7-5-2-6-8(7)4-1/h5-6H,1,3-4H2.
What are the key properties of 2,3-dihydro-1H-pentalene?
2,3-dihydro-1H-pentalene has a molecular weight of 104.15 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pentalene is sourced from PubChem (CID 91029970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).