1-prop-1-en-2-yl-3,4-dihydroisoquinoline

C12H13N — CID 175704614

IUPAC1-prop-1-en-2-yl-3,4-dihydroisoquinoline
SMILESC=C(C)C1=NCCc2ccccc21
InChIInChI=1S/C12H13N/c1-9(2)12-11-6-4-3-5-10(11)7-8-13-12/h3-6H,1,7-8H2,2H3
InChIKeyRBQZNKWHQSLIQE-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.61
Rot. Bonds1

About 1-prop-1-en-2-yl-3,4-dihydroisoquinoline

1-prop-1-en-2-yl-3,4-dihydroisoquinoline (PubChem CID 175704614) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-prop-1-en-2-yl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-prop-1-en-2-yl-3,4-dihydroisoquinoline
PubChem CID175704614
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name1-prop-1-en-2-yl-3,4-dihydroisoquinoline
SMILESC=C(C)C1=NCCc2ccccc21
InChIInChI=1S/C12H13N/c1-9(2)12-11-6-4-3-5-10(11)7-8-13-12/h3-6H,1,7-8H2,2H3
InChIKeyRBQZNKWHQSLIQE-UHFFFAOYSA-N
XLogP2.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(NZ)-N-[1-(3,4-dihydroisoquinolin-1-yl)ethylidene]hydroxylamine;hydrochloride
CID 135478442
bis(3,4-dihydroisoquinolin-1-yl)methanone
CID 174753154
1-(3,4-dihydroisoquinolin-1-yl)-2,2-dimethylpropan-1-one
CID 11241375
3,4-dihydroisoquinolin-1-yl(phenyl)methanethione
CID 71373487
1-methyl-3,4-dihydroisoquinoline tetrafluoroborate
CID 174929053
N,N-dimethyl-3,4-dihydroisoquinolin-1-amine
CID 10130189
2-(3,4-dihydroisoquinolin-1-yl)propan-2-ol
CID 141220935
N-(3,4-dihydroisoquinolin-1-yl)hydroxylamine
CID 87522084
2-(3,4-dihydroisoquinolin-1-yl)acetic acid
CID 4737805
1-prop-2-enylsulfanyl-3,4-dihydroisoquinoline
CID 12746228
1-[(4-methylphenyl)methyl]-3,4-dihydroisoquinoline
CID 12950081
1-(1-methoxypropyl)-3,4-dihydroisoquinoline
CID 102300239

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-yl-3,4-dihydroisoquinoline?
The IUPAC name of 1-prop-1-en-2-yl-3,4-dihydroisoquinoline (CID 175704614) is 1-prop-1-en-2-yl-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-prop-1-en-2-yl-3,4-dihydroisoquinoline?
The canonical SMILES for 1-prop-1-en-2-yl-3,4-dihydroisoquinoline is C=C(C)C1=NCCc2ccccc21.
What is the InChIKey of 1-prop-1-en-2-yl-3,4-dihydroisoquinoline?
The InChIKey is RBQZNKWHQSLIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-9(2)12-11-6-4-3-5-10(11)7-8-13-12/h3-6H,1,7-8H2,2H3.
What are the key properties of 1-prop-1-en-2-yl-3,4-dihydroisoquinoline?
1-prop-1-en-2-yl-3,4-dihydroisoquinoline has a molecular weight of 171.24 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-yl-3,4-dihydroisoquinoline is sourced from PubChem (CID 175704614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).