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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Related Compounds

(E)-N-[(2S)-butan-2-yl]-2-ethyl-N'-prop-1-en-2-yl-N-propylbut-2-enimidamide
CID 126516415
(3Z)-1-cyclopentyl-5-ethenyl-N-ethyl-4-methyl-6-methylidene-3-[(methylideneamino)methylidene]pyridin-2-imine;ethane
CID 142371881
(3Z)-1-cyclopentyl-3-ethylidene-5-methanimidoyl-N,4-dimethylpyrrol-2-imine
CID 143829563
ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine
CID 144801076
CID 153630600
CID 153630600
methane;(NE)-N'-methyl-N-(5-methyl-3-methylidene-1-pentan-2-ylpyrrol-2-ylidene)carbamimidoyl chloride
CID 153631139
(3Z)-1-cyclopentyl-3-ethylidene-5-methyl-N-prop-1-en-2-ylpyrrol-2-imine
CID 166750425
N-ethyl-N-(4-ethylcyclopenta-1,3-dien-1-yl)-N'-methylpentanimidamide
CID 166886864
(E)-4-(5-ethenyl-7-methylidene-3-propan-2-yl-4H-1,3-diazepin-2-yl)-N-methylpent-3-en-2-imine
CID 170054775
N-ethenyl-4-ethyl-1-propan-2-yl-3-propan-2-ylidenepyrrol-2-imine
CID 170201574
(6Z,8Z)-N,1-di(propan-2-yl)-3,4-dihydrocycloocta[b]pyridin-2-imine
CID 173809943
[[(3Z)-1-cyclopentyl-3-ethylidene-5-prop-1-en-2-ylpyrrol-2-ylidene]amino]methanol
CID 173815070

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).