N-(1-cyclopentyl-3-methylidene-5-prop-1-en-2-ylpyrrol-2-ylidene)-N'-methylethanimidamide

C16H23N3 — CID 155716536

IUPACN-(1-cyclopentyl-3-methylidene-5-prop-1-en-2-ylpyrrol-2-ylidene)-N'-methylethanimidamide
SMILESC=C(C)C1=CC(=C)/C(=N\C(C)=N\C)N1C1CCCC1
InChIInChI=1S/C16H23N3/c1-11(2)15-10-12(3)16(18-13(4)17-5)19(15)14-8-6-7-9-14/h10,14H,1,3,6-9H2,2,4-5H3/b17-13+,18-16+
InChIKeyIDQUFECGHZFUOD-UXHPWICLSA-N
MW257.38 g/mol
LogP3.71
Rot. Bonds2

About N-(1-cyclopentyl-3-methylidene-5-prop-1-en-2-ylpyrrol-2-ylidene)-N'-methylethanimidamide

N-(1-cyclopentyl-3-methylidene-5-prop-1-en-2-ylpyrrol-2-ylidene)-N'-methylethanimidamide (PubChem CID 155716536) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(1-cyclopentyl-3-methylidene-5-prop-1-en-2-ylpyrrol-2-ylidene)-N'-methylethanimidamide.

Molecular Properties

Compound NameN-(1-cyclopentyl-3-methylidene-5-prop-1-en-2-ylpyrrol-2-ylidene)-N'-methylethanimidamide
PubChem CID155716536
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-(1-cyclopentyl-3-methylidene-5-prop-1-en-2-ylpyrrol-2-ylidene)-N'-methylethanimidamide
SMILESC=C(C)C1=CC(=C)/C(=N\C(C)=N\C)N1C1CCCC1
InChIInChI=1S/C16H23N3/c1-11(2)15-10-12(3)16(18-13(4)17-5)19(15)14-8-6-7-9-14/h10,14H,1,3,6-9H2,2,4-5H3/b17-13+,18-16+
InChIKeyIDQUFECGHZFUOD-UXHPWICLSA-N
XLogP3.71
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentyl-3-methylidene-5-prop-1-en-2-ylpyrrol-2-ylidene)-N'-methylethanimidamide?
The IUPAC name of N-(1-cyclopentyl-3-methylidene-5-prop-1-en-2-ylpyrrol-2-ylidene)-N'-methylethanimidamide (CID 155716536) is N-(1-cyclopentyl-3-methylidene-5-prop-1-en-2-ylpyrrol-2-ylidene)-N'-methylethanimidamide.
What is the SMILES notation for N-(1-cyclopentyl-3-methylidene-5-prop-1-en-2-ylpyrrol-2-ylidene)-N'-methylethanimidamide?
The canonical SMILES for N-(1-cyclopentyl-3-methylidene-5-prop-1-en-2-ylpyrrol-2-ylidene)-N'-methylethanimidamide is C=C(C)C1=CC(=C)/C(=N\C(C)=N\C)N1C1CCCC1.
What is the InChIKey of N-(1-cyclopentyl-3-methylidene-5-prop-1-en-2-ylpyrrol-2-ylidene)-N'-methylethanimidamide?
The InChIKey is IDQUFECGHZFUOD-UXHPWICLSA-N. The full InChI is InChI=1S/C16H23N3/c1-11(2)15-10-12(3)16(18-13(4)17-5)19(15)14-8-6-7-9-14/h10,14H,1,3,6-9H2,2,4-5H3/b17-13+,18-16+.
What are the key properties of N-(1-cyclopentyl-3-methylidene-5-prop-1-en-2-ylpyrrol-2-ylidene)-N'-methylethanimidamide?
N-(1-cyclopentyl-3-methylidene-5-prop-1-en-2-ylpyrrol-2-ylidene)-N'-methylethanimidamide has a molecular weight of 257.38 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentyl-3-methylidene-5-prop-1-en-2-ylpyrrol-2-ylidene)-N'-methylethanimidamide is sourced from PubChem (CID 155716536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).