1-pyrrolidin-1-ylpropylidenecyanamide

C8H13N3 — CID 58332306

IUPAC1-pyrrolidin-1-ylpropylidenecyanamide
SMILESCC/C(=N\C#N)N1CCCC1
InChIInChI=1S/C8H13N3/c1-2-8(10-7-9)11-5-3-4-6-11/h2-6H2,1H3/b10-8+
InChIKeyLLMYYRTUEQDQPE-CSKARUKUSA-N
MW151.21 g/mol
LogP1.37
Rot. Bonds1

About 1-pyrrolidin-1-ylpropylidenecyanamide

1-pyrrolidin-1-ylpropylidenecyanamide (PubChem CID 58332306) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylpropylidenecyanamide.

Molecular Properties

Compound Name1-pyrrolidin-1-ylpropylidenecyanamide
PubChem CID58332306
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-pyrrolidin-1-ylpropylidenecyanamide
SMILESCC/C(=N\C#N)N1CCCC1
InChIInChI=1S/C8H13N3/c1-2-8(10-7-9)11-5-3-4-6-11/h2-6H2,1H3/b10-8+
InChIKeyLLMYYRTUEQDQPE-CSKARUKUSA-N
XLogP1.37
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,5-Diazabicyclo(4.3.0)non-5-ene
CID 76349
Methanamine, N-(1-methyl-2-pyrrolidinylidene)-
CID 574377
3,4,5,7,8,9-hexahydro-2H-pyrrolo[1,2-a][1,3]diazepine
CID 20488750
5-(Pyrrolidin-1-yl)-3,4-dihydro-2H-pyrrole
CID 330201
Guanidine, N-cyano-N'-(1-methyl-2-pyrrolidinylidene)-
CID 9589493
1-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium iodide
CID 118719136
N-Cyanomethyl-2-cyanimino-pyrrolidine
CID 590417
N-ethyl-1-methylpyrrolidin-2-imine
CID 12896054
(1-Methylpyrrolidin-2-ylidene)cyanamide
CID 379672
1-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium
CID 15935236
1-[(3R)-3-fluoropyrrolidin-1-yl]-N-methylethanimine
CID 146187276
N-tert-butyl-1-pyrrolidin-1-ylethanimine
CID 334767

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylpropylidenecyanamide?
The IUPAC name of 1-pyrrolidin-1-ylpropylidenecyanamide (CID 58332306) is 1-pyrrolidin-1-ylpropylidenecyanamide.
What is the SMILES notation for 1-pyrrolidin-1-ylpropylidenecyanamide?
The canonical SMILES for 1-pyrrolidin-1-ylpropylidenecyanamide is CC/C(=N\C#N)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-ylpropylidenecyanamide?
The InChIKey is LLMYYRTUEQDQPE-CSKARUKUSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-8(10-7-9)11-5-3-4-6-11/h2-6H2,1H3/b10-8+.
What are the key properties of 1-pyrrolidin-1-ylpropylidenecyanamide?
1-pyrrolidin-1-ylpropylidenecyanamide has a molecular weight of 151.21 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylpropylidenecyanamide is sourced from PubChem (CID 58332306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).