[[(2R)-pyrrolidin-2-yl]methylideneamino]urea

C6H12N4O — CID 130912881

IUPAC[[(2R)-pyrrolidin-2-yl]methylideneamino]urea
SMILESNC(=O)NN=C[C@H]1CCCN1
InChIInChI=1S/C6H12N4O/c7-6(11)10-9-4-5-2-1-3-8-5/h4-5,8H,1-3H2,(H3,7,10,11)/t5-/m1/s1
InChIKeyIFJAVYWUKSBHNH-RXMQYKEDSA-N
MW156.19 g/mol
LogP-0.61
Rot. Bonds2

About [[(2R)-pyrrolidin-2-yl]methylideneamino]urea

[[(2R)-pyrrolidin-2-yl]methylideneamino]urea (PubChem CID 130912881) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is [[(2R)-pyrrolidin-2-yl]methylideneamino]urea.

Molecular Properties

Compound Name[[(2R)-pyrrolidin-2-yl]methylideneamino]urea
PubChem CID130912881
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name[[(2R)-pyrrolidin-2-yl]methylideneamino]urea
SMILESNC(=O)NN=C[C@H]1CCCN1
InChIInChI=1S/C6H12N4O/c7-6(11)10-9-4-5-2-1-3-8-5/h4-5,8H,1-3H2,(H3,7,10,11)/t5-/m1/s1
InChIKeyIFJAVYWUKSBHNH-RXMQYKEDSA-N
XLogP-0.61
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-(piperidin-2-ylmethylidene)hydroxylamine
CID 6332583
(2-bicyclo[2.2.2]octanylmethylideneamino)urea
CID 165355280
(E)-3-[(2R)-pyrrolidin-2-yl]prop-2-enoic acid
CID 155072463
2-pyrrolidin-2-ylpropylurea
CID 70245040
2-[(E)-[(2R)-pyrrolidin-2-yl]methylideneamino]oxypropan-2-ol
CID 173290051
(Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoic acid
CID 174209426
tert-butyl carbamate;methanol;pyrrolidine-2-carbaldehyde
CID 171093384
ethane;(2R)-pyrrolidine-2-carbaldehyde
CID 177324827
(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide
CID 134516134
pyrrolidine-2-carboxamide;dihydrobromide
CID 70056458
(2R)-2-(2,2-dibromoethenyl)pyrrolidine
CID 14730329
methyl 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate
CID 118577691

Frequently Asked Questions

What is the IUPAC name of [[(2R)-pyrrolidin-2-yl]methylideneamino]urea?
The IUPAC name of [[(2R)-pyrrolidin-2-yl]methylideneamino]urea (CID 130912881) is [[(2R)-pyrrolidin-2-yl]methylideneamino]urea.
What is the SMILES notation for [[(2R)-pyrrolidin-2-yl]methylideneamino]urea?
The canonical SMILES for [[(2R)-pyrrolidin-2-yl]methylideneamino]urea is NC(=O)NN=C[C@H]1CCCN1.
What is the InChIKey of [[(2R)-pyrrolidin-2-yl]methylideneamino]urea?
The InChIKey is IFJAVYWUKSBHNH-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12N4O/c7-6(11)10-9-4-5-2-1-3-8-5/h4-5,8H,1-3H2,(H3,7,10,11)/t5-/m1/s1.
What are the key properties of [[(2R)-pyrrolidin-2-yl]methylideneamino]urea?
[[(2R)-pyrrolidin-2-yl]methylideneamino]urea has a molecular weight of 156.19 g/mol, XLogP of -0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2R)-pyrrolidin-2-yl]methylideneamino]urea is sourced from PubChem (CID 130912881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).