2-methyl-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline

C13H17N — CID 143924095

IUPAC2-methyl-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline
SMILESC=C(C)c1ccc2c(c1)CN(C)CC2
InChIInChI=1S/C13H17N/c1-10(2)12-5-4-11-6-7-14(3)9-13(11)8-12/h4-5,8H,1,6-7,9H2,2-3H3
InChIKeyRTPZSVQNOUGTIV-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.71
Rot. Bonds1

About 2-methyl-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline

2-methyl-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 143924095) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-methyl-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline
PubChem CID143924095
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-methyl-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline
SMILESC=C(C)c1ccc2c(c1)CN(C)CC2
InChIInChI=1S/C13H17N/c1-10(2)12-5-4-11-6-7-14(3)9-13(11)8-12/h4-5,8H,1,6-7,9H2,2-3H3
InChIKeyRTPZSVQNOUGTIV-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclopentylmethyl)-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline
CID 171523168
2-tert-butyl-5-prop-1-en-2-yl-1,3-dihydroisoindole
CID 167042846
2-methyl-5-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-7-amine
CID 167201837
2-methyl-7-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one
CID 171522935
benzyl 2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxylate
CID 170318468
methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874
6-acetyl-2-methyl-1,3-dihydroisoindole-4-sulfonic acid;1-(2-methyl-1,3-dihydroisoindol-5-yl)ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanone
CID 145316351
7-tert-butyl-2-methyl-5-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline
CID 171575416
N,2-dimethyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide
CID 58147184
iodomethane;2-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol
CID 23621205
ethane;methyl 3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylate
CID 91090693
6-amino-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
CID 84656601

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-methyl-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline (CID 143924095) is 2-methyl-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline is C=C(C)c1ccc2c(c1)CN(C)CC2.
What is the InChIKey of 2-methyl-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is RTPZSVQNOUGTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-10(2)12-5-4-11-6-7-14(3)9-13(11)8-12/h4-5,8H,1,6-7,9H2,2-3H3.
What are the key properties of 2-methyl-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline?
2-methyl-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 187.29 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 143924095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).