3-[(1Z)-buta-1,3-dienyl]-4-methyl-2,5-dihydropyrrol-1-amine

C9H14N2 — CID 166728986

IUPAC3-[(1Z)-buta-1,3-dienyl]-4-methyl-2,5-dihydropyrrol-1-amine
SMILESCC1=C(CN(C1)N)/C=C\C=C
InChIInChI=1S/C9H14N2/c1-3-4-5-9-7-11(10)6-8(9)2/h3-5H,1,6-7,10H2,2H3/b5-4-
InChIKeyMXGBCNUZIDCRDC-PLNGDYQASA-N
MW150.22 g/mol
LogP0.60
Rot. Bonds2

About 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2,5-dihydropyrrol-1-amine

3-[(1Z)-buta-1,3-dienyl]-4-methyl-2,5-dihydropyrrol-1-amine (PubChem CID 166728986) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2,5-dihydropyrrol-1-amine.

Molecular Properties

Compound Name3-[(1Z)-buta-1,3-dienyl]-4-methyl-2,5-dihydropyrrol-1-amine
PubChem CID166728986
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3-[(1Z)-buta-1,3-dienyl]-4-methyl-2,5-dihydropyrrol-1-amine
SMILESCC1=C(CN(C1)N)/C=C\C=C
InChIInChI=1S/C9H14N2/c1-3-4-5-9-7-11(10)6-8(9)2/h3-5H,1,6-7,10H2,2H3/b5-4-
InChIKeyMXGBCNUZIDCRDC-PLNGDYQASA-N
XLogP0.60
TPSA29.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity214

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6-methyl-5-prop-2-enyl-2H-pyridin-1-amine
CID 70507575
5-[Hydrazinyl(methyl)amino]-6-methylidenecyclohexa-1,3-diene
CID 89295291
1-[(1R)-1-cyclohexa-1,5-dien-1-ylethyl]-1-methylhydrazine
CID 89365387
(3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidin-1-amine
CID 117646621
1-(2-methylprop-2-enyl)-1-[(E)-pent-2-enyl]hydrazine
CID 117960577
1-(Cyclohexa-1,5-dien-1-ylmethyl)-1-methylhydrazine
CID 118548974
1-Methyl-1-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]hydrazine
CID 121356784
1-(3-Ethenylhept-3-en-2-yl)-1-methylhydrazine
CID 123250175
1,1-Bis(2-methylidenepent-3-enyl)-2-prop-2-enylhydrazine
CID 123543479
2-Ethylidene-3-propylidenepyrrol-1-amine
CID 123716269
1-ethyl-1-[(3E,4Z)-4-methyl-3-prop-2-enylidenehepta-4,6-dien-2-yl]hydrazine
CID 126712198
(3E,4E)-3,4-bis(prop-2-enylidene)pyrrolidin-1-amine;ethane;iodomethane
CID 141778919

Frequently Asked Questions

What is the IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2,5-dihydropyrrol-1-amine?
The IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2,5-dihydropyrrol-1-amine (CID 166728986) is 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2,5-dihydropyrrol-1-amine.
What is the SMILES notation for 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2,5-dihydropyrrol-1-amine?
The canonical SMILES for 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2,5-dihydropyrrol-1-amine is CC1=C(CN(C1)N)/C=C\C=C.
What is the InChIKey of 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2,5-dihydropyrrol-1-amine?
The InChIKey is MXGBCNUZIDCRDC-PLNGDYQASA-N. The full InChI is InChI=1S/C9H14N2/c1-3-4-5-9-7-11(10)6-8(9)2/h3-5H,1,6-7,10H2,2H3/b5-4-.
What are the key properties of 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2,5-dihydropyrrol-1-amine?
3-[(1Z)-buta-1,3-dienyl]-4-methyl-2,5-dihydropyrrol-1-amine has a molecular weight of 150.22 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2,5-dihydropyrrol-1-amine is sourced from PubChem (CID 166728986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).