1-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole

C8H13N — CID 142176988

IUPAC1-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole
SMILESC/C=C\C1=CN(C)CC1
InChIInChI=1S/C8H13N/c1-3-4-8-5-6-9(2)7-8/h3-4,7H,5-6H2,1-2H3/b4-3-
InChIKeySPZQNJGMRSFCSS-ARJAWSKDSA-N
MW123.20 g/mol
LogP1.78
Rot. Bonds1

About 1-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole

1-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole (PubChem CID 142176988) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 1-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole
PubChem CID142176988
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name1-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole
SMILESC/C=C\C1=CN(C)CC1
InChIInChI=1S/C8H13N/c1-3-4-8-5-6-9(2)7-8/h3-4,7H,5-6H2,1-2H3/b4-3-
InChIKeySPZQNJGMRSFCSS-ARJAWSKDSA-N
XLogP1.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(Dimethylamino)fulvene
CID 136523
1-Methyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 10036134
Ferrocene, ((dimethylamino)methyl)-
CID 16211226
1,3-Cyclopentadiene, 5-[2-(dimethylamino)ethyl]-
CID 546878
(N,N-dimethylaminoethyl)cyclopentadiene
CID 12154709
3-Ethyl-1-methyl-1,2-dihydropyridine
CID 12506166
5-ethyl-1-methyl-2H-pyridine
CID 12506167
3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
CID 12982239
(E)-6-[2-(dimethylamino)ethenyl]-fulvene
CID 13280603
1,3,5-Collidin
CID 22046103
2-(Cyclooctatetraenyl)ethyl-trimethylazanium
CID 91292553
2-cyclopenta-1,4-dien-1-yl-N,N-dimethylethanamine
CID 12161648

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole?
The IUPAC name of 1-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole (CID 142176988) is 1-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole.
What is the SMILES notation for 1-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole?
The canonical SMILES for 1-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole is C/C=C\C1=CN(C)CC1.
What is the InChIKey of 1-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole?
The InChIKey is SPZQNJGMRSFCSS-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H13N/c1-3-4-8-5-6-9(2)7-8/h3-4,7H,5-6H2,1-2H3/b4-3-.
What are the key properties of 1-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole?
1-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole has a molecular weight of 123.20 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole is sourced from PubChem (CID 142176988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).