1-[(4R)-4-(2-methylpropyl)-5-oxopyrrolidin-2-ylidene]guanidine

C9H16N4O — CID 147392604

IUPAC1-[(4R)-4-(2-methylpropyl)-5-oxopyrrolidin-2-ylidene]guanidine
SMILES[H]/N=C(\N)N=C1C[C@@H](CC(C)C)C(=O)N1
InChIInChI=1S/C9H16N4O/c1-5(2)3-6-4-7(12-8(6)14)13-9(10)11/h5-6H,3-4H2,1-2H3,(H4,10,11,12,13,14)/t6-/m1/s1
InChIKeyDNEGFDZKBGPBFU-ZCFIWIBFSA-N
MW196.25 g/mol
LogP0.46
Rot. Bonds2

About 1-[(4R)-4-(2-methylpropyl)-5-oxopyrrolidin-2-ylidene]guanidine

1-[(4R)-4-(2-methylpropyl)-5-oxopyrrolidin-2-ylidene]guanidine (PubChem CID 147392604) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[(4R)-4-(2-methylpropyl)-5-oxopyrrolidin-2-ylidene]guanidine.

Molecular Properties

Compound Name1-[(4R)-4-(2-methylpropyl)-5-oxopyrrolidin-2-ylidene]guanidine
PubChem CID147392604
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-[(4R)-4-(2-methylpropyl)-5-oxopyrrolidin-2-ylidene]guanidine
SMILES[H]/N=C(\N)N=C1C[C@@H](CC(C)C)C(=O)N1
InChIInChI=1S/C9H16N4O/c1-5(2)3-6-4-7(12-8(6)14)13-9(10)11/h5-6H,3-4H2,1-2H3,(H4,10,11,12,13,14)/t6-/m1/s1
InChIKeyDNEGFDZKBGPBFU-ZCFIWIBFSA-N
XLogP0.46
TPSA91.33 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.46
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-(2-methylpropyl)-5-oxopyrrolidin-2-ylidene]guanidine?
The IUPAC name of 1-[(4R)-4-(2-methylpropyl)-5-oxopyrrolidin-2-ylidene]guanidine (CID 147392604) is 1-[(4R)-4-(2-methylpropyl)-5-oxopyrrolidin-2-ylidene]guanidine.
What is the SMILES notation for 1-[(4R)-4-(2-methylpropyl)-5-oxopyrrolidin-2-ylidene]guanidine?
The canonical SMILES for 1-[(4R)-4-(2-methylpropyl)-5-oxopyrrolidin-2-ylidene]guanidine is [H]/N=C(\N)N=C1C[C@@H](CC(C)C)C(=O)N1.
What is the InChIKey of 1-[(4R)-4-(2-methylpropyl)-5-oxopyrrolidin-2-ylidene]guanidine?
The InChIKey is DNEGFDZKBGPBFU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H16N4O/c1-5(2)3-6-4-7(12-8(6)14)13-9(10)11/h5-6H,3-4H2,1-2H3,(H4,10,11,12,13,14)/t6-/m1/s1.
What are the key properties of 1-[(4R)-4-(2-methylpropyl)-5-oxopyrrolidin-2-ylidene]guanidine?
1-[(4R)-4-(2-methylpropyl)-5-oxopyrrolidin-2-ylidene]guanidine has a molecular weight of 196.25 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-(2-methylpropyl)-5-oxopyrrolidin-2-ylidene]guanidine is sourced from PubChem (CID 147392604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).