1-cyclohexa-1,3-dien-1-yl-2,3-dihydropyrrole

C10H13N — CID 89329931

IUPAC1-cyclohexa-1,3-dien-1-yl-2,3-dihydropyrrole
SMILESC1=CCCC(N2C=CCC2)=C1
InChIInChI=1S/C10H13N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-2,4,6,8H,3,5,7,9H2
InChIKeyVCBDFMXTLXIJST-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.44
Rot. Bonds1

About 1-cyclohexa-1,3-dien-1-yl-2,3-dihydropyrrole

1-cyclohexa-1,3-dien-1-yl-2,3-dihydropyrrole (PubChem CID 89329931) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-2,3-dihydropyrrole
PubChem CID89329931
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name1-cyclohexa-1,3-dien-1-yl-2,3-dihydropyrrole
SMILESC1=CCCC(N2C=CCC2)=C1
InChIInChI=1S/C10H13N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-2,4,6,8H,3,5,7,9H2
InChIKeyVCBDFMXTLXIJST-UHFFFAOYSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-2,3-dihydropyrrole?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-2,3-dihydropyrrole (CID 89329931) is 1-cyclohexa-1,3-dien-1-yl-2,3-dihydropyrrole.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-2,3-dihydropyrrole?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-2,3-dihydropyrrole is C1=CCCC(N2C=CCC2)=C1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-2,3-dihydropyrrole?
The InChIKey is VCBDFMXTLXIJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-2,4,6,8H,3,5,7,9H2.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-2,3-dihydropyrrole?
1-cyclohexa-1,3-dien-1-yl-2,3-dihydropyrrole has a molecular weight of 147.22 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-2,3-dihydropyrrole is sourced from PubChem (CID 89329931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).