[amino(pyrrolidin-1-yl)methylidene]urea

C6H12N4O — CID 123855969

IUPAC[amino(pyrrolidin-1-yl)methylidene]urea
SMILESNC(=O)N=C(N)N1CCCC1
InChIInChI=1S/C6H12N4O/c7-5(9-6(8)11)10-3-1-2-4-10/h1-4H2,(H4,7,8,9,11)
InChIKeyRUCMKXDTQUMHGH-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.52
Rot. Bonds

About [amino(pyrrolidin-1-yl)methylidene]urea

[amino(pyrrolidin-1-yl)methylidene]urea (PubChem CID 123855969) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is [amino(pyrrolidin-1-yl)methylidene]urea.

Molecular Properties

Compound Name[amino(pyrrolidin-1-yl)methylidene]urea
PubChem CID123855969
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name[amino(pyrrolidin-1-yl)methylidene]urea
SMILESNC(=O)N=C(N)N1CCCC1
InChIInChI=1S/C6H12N4O/c7-5(9-6(8)11)10-3-1-2-4-10/h1-4H2,(H4,7,8,9,11)
InChIKeyRUCMKXDTQUMHGH-UHFFFAOYSA-N
XLogP-0.52
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 [amino(pyrrolidin-1-yl)methylidene]urea?
The IUPAC name of [amino(pyrrolidin-1-yl)methylidene]urea (CID 123855969) is [amino(pyrrolidin-1-yl)methylidene]urea.
What is the SMILES notation for [amino(pyrrolidin-1-yl)methylidene]urea?
The canonical SMILES for [amino(pyrrolidin-1-yl)methylidene]urea is NC(=O)N=C(N)N1CCCC1.
What is the InChIKey of [amino(pyrrolidin-1-yl)methylidene]urea?
The InChIKey is RUCMKXDTQUMHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c7-5(9-6(8)11)10-3-1-2-4-10/h1-4H2,(H4,7,8,9,11).
What are the key properties of [amino(pyrrolidin-1-yl)methylidene]urea?
[amino(pyrrolidin-1-yl)methylidene]urea has a molecular weight of 156.19 g/mol, XLogP of -0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(pyrrolidin-1-yl)methylidene]urea is sourced from PubChem (CID 123855969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).