1-methyl-2-penta-3,4-dien-2-ylpyrrolidine

C10H17N — CID 130241849

IUPAC1-methyl-2-penta-3,4-dien-2-ylpyrrolidine
SMILESC=C=CC(C)C1CCCN1C
InChIInChI=1S/C10H17N/c1-4-6-9(2)10-7-5-8-11(10)3/h6,9-10H,1,5,7-8H2,2-3H3
InChIKeyNUGGIVSARDTJOT-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.06
Rot. Bonds2

About 1-methyl-2-penta-3,4-dien-2-ylpyrrolidine

1-methyl-2-penta-3,4-dien-2-ylpyrrolidine (PubChem CID 130241849) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-methyl-2-penta-3,4-dien-2-ylpyrrolidine.

Molecular Properties

Compound Name1-methyl-2-penta-3,4-dien-2-ylpyrrolidine
PubChem CID130241849
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-methyl-2-penta-3,4-dien-2-ylpyrrolidine
SMILESC=C=CC(C)C1CCCN1C
InChIInChI=1S/C10H17N/c1-4-6-9(2)10-7-5-8-11(10)3/h6,9-10H,1,5,7-8H2,2-3H3
InChIKeyNUGGIVSARDTJOT-UHFFFAOYSA-N
XLogP2.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[(2R)-but-3-en-2-yl]-1-methylpiperidine
CID 102326183
(1S)-1-(1-methylpyrrolidin-2-yl)ethanamine
CID 59120846
(1R)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol
CID 155904197
(2R)-2-[(1R)-1-(diiodomethoxy)prop-2-enyl]-1-methylpyrrolidine
CID 167139875
1-methyl-2-propa-1,2-dienylpiperidine
CID 134716119
prop-2-enyl (2R,3R)-3-hydroxy-2-methyl-3-(1-methylpyrrolidin-2-yl)propanoate
CID 137383412
potassium 2-(1-methanidyloxyethyl)-1-methylpyrrolidine
CID 176961339
ethane;methane;tetrakis([(2S)-1-methylpyrrolidin-2-yl]methanediol);tetrakis([(2R)-1-methylpyrrolidin-2-yl]methanediol)
CID 159344358
1-(1-methylpyrrolidin-2-yl)ethyl prop-2-enoate
CID 175306856
2-benzhydryl-1-methylpyrrolidine
CID 71178925
ethane;2-(1-ethoxyethyl)-1-methylpyrrolidine
CID 176920826
(1S)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol;(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-ol
CID 165045426

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-penta-3,4-dien-2-ylpyrrolidine?
The IUPAC name of 1-methyl-2-penta-3,4-dien-2-ylpyrrolidine (CID 130241849) is 1-methyl-2-penta-3,4-dien-2-ylpyrrolidine.
What is the SMILES notation for 1-methyl-2-penta-3,4-dien-2-ylpyrrolidine?
The canonical SMILES for 1-methyl-2-penta-3,4-dien-2-ylpyrrolidine is C=C=CC(C)C1CCCN1C.
What is the InChIKey of 1-methyl-2-penta-3,4-dien-2-ylpyrrolidine?
The InChIKey is NUGGIVSARDTJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-6-9(2)10-7-5-8-11(10)3/h6,9-10H,1,5,7-8H2,2-3H3.
What are the key properties of 1-methyl-2-penta-3,4-dien-2-ylpyrrolidine?
1-methyl-2-penta-3,4-dien-2-ylpyrrolidine has a molecular weight of 151.25 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-penta-3,4-dien-2-ylpyrrolidine is sourced from PubChem (CID 130241849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).