(2-ethenyl-5-methyl-4-propyl-1H-pyrrol-3-yl)methanimine

C11H16N2 — CID 166750421

IUPAC(2-ethenyl-5-methyl-4-propyl-1H-pyrrol-3-yl)methanimine
SMILES[H]/N=C/c1c(C=C)[nH]c(C)c1CCC
InChIInChI=1S/C11H16N2/c1-4-6-9-8(3)13-11(5-2)10(9)7-12/h5,7,12-13H,2,4,6H2,1,3H3/b12-7+
InChIKeyRNUZGGVEJQPNDS-KPKJPENVSA-N
MW176.26 g/mol
LogP2.92
Rot. Bonds4

About (2-ethenyl-5-methyl-4-propyl-1H-pyrrol-3-yl)methanimine

(2-ethenyl-5-methyl-4-propyl-1H-pyrrol-3-yl)methanimine (PubChem CID 166750421) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (2-ethenyl-5-methyl-4-propyl-1H-pyrrol-3-yl)methanimine.

Molecular Properties

Compound Name(2-ethenyl-5-methyl-4-propyl-1H-pyrrol-3-yl)methanimine
PubChem CID166750421
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(2-ethenyl-5-methyl-4-propyl-1H-pyrrol-3-yl)methanimine
SMILES[H]/N=C/c1c(C=C)[nH]c(C)c1CCC
InChIInChI=1S/C11H16N2/c1-4-6-9-8(3)13-11(5-2)10(9)7-12/h5,7,12-13H,2,4,6H2,1,3H3/b12-7+
InChIKeyRNUZGGVEJQPNDS-KPKJPENVSA-N
XLogP2.92
TPSA39.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3-ethenyl-4-methylfuran-2-yl)methanimine
CID 167500331
2-methanimidoyl-3,4,5,6-tetramethylbenzaldehyde
CID 22447751
1-ethenyl-2,3,5,6-tetrafluoro-4-propylbenzene
CID 168782513
ethyl 5-formyl-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 166060301
4-ethenyl-5-methanimidoyl-3H-1,3-thiazole-2-thione
CID 142318042
(2-ethenyl-4,6-dimethylphenyl)methanimine
CID 142023097
(2-ethenyl-6-methylphenyl)methanimine
CID 156888236
(2-butyl-5-methyl-1H-pyrrol-3-yl)methanimine
CID 174702286
ethane;[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanimine
CID 143341013
(2-ethenyl-1H-pyrrol-3-yl)methanimine
CID 142384190
2,3-bis(ethenyl)-4,5-dimethylidene-1H-pyrrole
CID 144687352
2-methyl-3-propyl-1H-indole-5-sulfonic acid
CID 50887921

Frequently Asked Questions

What is the IUPAC name of (2-ethenyl-5-methyl-4-propyl-1H-pyrrol-3-yl)methanimine?
The IUPAC name of (2-ethenyl-5-methyl-4-propyl-1H-pyrrol-3-yl)methanimine (CID 166750421) is (2-ethenyl-5-methyl-4-propyl-1H-pyrrol-3-yl)methanimine.
What is the SMILES notation for (2-ethenyl-5-methyl-4-propyl-1H-pyrrol-3-yl)methanimine?
The canonical SMILES for (2-ethenyl-5-methyl-4-propyl-1H-pyrrol-3-yl)methanimine is [H]/N=C/c1c(C=C)[nH]c(C)c1CCC.
What is the InChIKey of (2-ethenyl-5-methyl-4-propyl-1H-pyrrol-3-yl)methanimine?
The InChIKey is RNUZGGVEJQPNDS-KPKJPENVSA-N. The full InChI is InChI=1S/C11H16N2/c1-4-6-9-8(3)13-11(5-2)10(9)7-12/h5,7,12-13H,2,4,6H2,1,3H3/b12-7+.
What are the key properties of (2-ethenyl-5-methyl-4-propyl-1H-pyrrol-3-yl)methanimine?
(2-ethenyl-5-methyl-4-propyl-1H-pyrrol-3-yl)methanimine has a molecular weight of 176.26 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenyl-5-methyl-4-propyl-1H-pyrrol-3-yl)methanimine is sourced from PubChem (CID 166750421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).