1-(cyclobutylmethyl)-4-methyl-5-methylidene-3-pent-1-en-2-yl-2H-pyrrole

C16H25N — CID 167023466

IUPAC1-(cyclobutylmethyl)-4-methyl-5-methylidene-3-pent-1-en-2-yl-2H-pyrrole
SMILESC=C(CCC)C1=C(C)C(=C)N(CC2CCC2)C1
InChIInChI=1S/C16H25N/c1-5-7-12(2)16-11-17(14(4)13(16)3)10-15-8-6-9-15/h15H,2,4-11H2,1,3H3
InChIKeyOBEUURQCUGKXSH-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.29
Rot. Bonds5

About 1-(cyclobutylmethyl)-4-methyl-5-methylidene-3-pent-1-en-2-yl-2H-pyrrole

1-(cyclobutylmethyl)-4-methyl-5-methylidene-3-pent-1-en-2-yl-2H-pyrrole (PubChem CID 167023466) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-4-methyl-5-methylidene-3-pent-1-en-2-yl-2H-pyrrole.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-4-methyl-5-methylidene-3-pent-1-en-2-yl-2H-pyrrole
PubChem CID167023466
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-(cyclobutylmethyl)-4-methyl-5-methylidene-3-pent-1-en-2-yl-2H-pyrrole
SMILESC=C(CCC)C1=C(C)C(=C)N(CC2CCC2)C1
InChIInChI=1S/C16H25N/c1-5-7-12(2)16-11-17(14(4)13(16)3)10-15-8-6-9-15/h15H,2,4-11H2,1,3H3
InChIKeyOBEUURQCUGKXSH-UHFFFAOYSA-N
XLogP4.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-4-methyl-5-methylidene-3-pent-1-en-2-yl-2H-pyrrole?
The IUPAC name of 1-(cyclobutylmethyl)-4-methyl-5-methylidene-3-pent-1-en-2-yl-2H-pyrrole (CID 167023466) is 1-(cyclobutylmethyl)-4-methyl-5-methylidene-3-pent-1-en-2-yl-2H-pyrrole.
What is the SMILES notation for 1-(cyclobutylmethyl)-4-methyl-5-methylidene-3-pent-1-en-2-yl-2H-pyrrole?
The canonical SMILES for 1-(cyclobutylmethyl)-4-methyl-5-methylidene-3-pent-1-en-2-yl-2H-pyrrole is C=C(CCC)C1=C(C)C(=C)N(CC2CCC2)C1.
What is the InChIKey of 1-(cyclobutylmethyl)-4-methyl-5-methylidene-3-pent-1-en-2-yl-2H-pyrrole?
The InChIKey is OBEUURQCUGKXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-5-7-12(2)16-11-17(14(4)13(16)3)10-15-8-6-9-15/h15H,2,4-11H2,1,3H3.
What are the key properties of 1-(cyclobutylmethyl)-4-methyl-5-methylidene-3-pent-1-en-2-yl-2H-pyrrole?
1-(cyclobutylmethyl)-4-methyl-5-methylidene-3-pent-1-en-2-yl-2H-pyrrole has a molecular weight of 231.38 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-4-methyl-5-methylidene-3-pent-1-en-2-yl-2H-pyrrole is sourced from PubChem (CID 167023466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).