(NZ)-2-(hydroxymethyl)-N-(3-methylbut-3-en-2-ylidene)pyrrolidine-1-carboximidamide

C11H19N3O — CID 142498495

IUPAC(NZ)-2-(hydroxymethyl)-N-(3-methylbut-3-en-2-ylidene)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(/N=C(/C)C(=C)C)N1CCCC1CO
InChIInChI=1S/C11H19N3O/c1-8(2)9(3)13-11(12)14-6-4-5-10(14)7-15/h10,12,15H,1,4-7H2,2-3H3/b12-11-,13-9-
InChIKeyLOAOSLIFVIGDBT-AXPMFYHGSA-N
MW209.29 g/mol
LogP1.41
Rot. Bonds2

About (NZ)-2-(hydroxymethyl)-N-(3-methylbut-3-en-2-ylidene)pyrrolidine-1-carboximidamide

(NZ)-2-(hydroxymethyl)-N-(3-methylbut-3-en-2-ylidene)pyrrolidine-1-carboximidamide (PubChem CID 142498495) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (NZ)-2-(hydroxymethyl)-N-(3-methylbut-3-en-2-ylidene)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name(NZ)-2-(hydroxymethyl)-N-(3-methylbut-3-en-2-ylidene)pyrrolidine-1-carboximidamide
PubChem CID142498495
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(NZ)-2-(hydroxymethyl)-N-(3-methylbut-3-en-2-ylidene)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(/N=C(/C)C(=C)C)N1CCCC1CO
InChIInChI=1S/C11H19N3O/c1-8(2)9(3)13-11(12)14-6-4-5-10(14)7-15/h10,12,15H,1,4-7H2,2-3H3/b12-11-,13-9-
InChIKeyLOAOSLIFVIGDBT-AXPMFYHGSA-N
XLogP1.41
TPSA59.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(hydroxymethyl)-N-propan-2-ylidenepyrrolidine-1-carboximidamide
CID 142498237
(2R)-2-(hydroxymethyl)-N-propan-2-ylidenepyrrolidine-1-carboximidamide
CID 163809132

Frequently Asked Questions

What is the IUPAC name of (NZ)-2-(hydroxymethyl)-N-(3-methylbut-3-en-2-ylidene)pyrrolidine-1-carboximidamide?
The IUPAC name of (NZ)-2-(hydroxymethyl)-N-(3-methylbut-3-en-2-ylidene)pyrrolidine-1-carboximidamide (CID 142498495) is (NZ)-2-(hydroxymethyl)-N-(3-methylbut-3-en-2-ylidene)pyrrolidine-1-carboximidamide.
What is the SMILES notation for (NZ)-2-(hydroxymethyl)-N-(3-methylbut-3-en-2-ylidene)pyrrolidine-1-carboximidamide?
The canonical SMILES for (NZ)-2-(hydroxymethyl)-N-(3-methylbut-3-en-2-ylidene)pyrrolidine-1-carboximidamide is [H]/N=C(/N=C(/C)C(=C)C)N1CCCC1CO.
What is the InChIKey of (NZ)-2-(hydroxymethyl)-N-(3-methylbut-3-en-2-ylidene)pyrrolidine-1-carboximidamide?
The InChIKey is LOAOSLIFVIGDBT-AXPMFYHGSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)9(3)13-11(12)14-6-4-5-10(14)7-15/h10,12,15H,1,4-7H2,2-3H3/b12-11-,13-9-.
What are the key properties of (NZ)-2-(hydroxymethyl)-N-(3-methylbut-3-en-2-ylidene)pyrrolidine-1-carboximidamide?
(NZ)-2-(hydroxymethyl)-N-(3-methylbut-3-en-2-ylidene)pyrrolidine-1-carboximidamide has a molecular weight of 209.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-2-(hydroxymethyl)-N-(3-methylbut-3-en-2-ylidene)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 142498495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).