carbamic acid;4,5-dihydro-1H-imidazole

C4H9N3O2 — CID 162035766

IUPACcarbamic acid;4,5-dihydro-1H-imidazole
SMILESC1=NCCN1.NC(=O)O
InChIInChI=1S/C3H6N2.CH3NO2/c1-2-5-3-4-1;2-1(3)4/h3H,1-2H2,(H,4,5);2H2,(H,3,4)
InChIKeyYWPUOQKBPKDSBI-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.76
Rot. Bonds

About carbamic acid;4,5-dihydro-1H-imidazole

carbamic acid;4,5-dihydro-1H-imidazole (PubChem CID 162035766) has the molecular formula C4H9N3O2 and a molecular weight of 131.13 g/mol. Its IUPAC name is carbamic acid;4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Namecarbamic acid;4,5-dihydro-1H-imidazole
PubChem CID162035766
Molecular FormulaC4H9N3O2
Molecular Weight131.13 g/mol
Exact Mass131.07
IUPAC Namecarbamic acid;4,5-dihydro-1H-imidazole
SMILESC1=NCCN1.NC(=O)O
InChIInChI=1S/C3H6N2.CH3NO2/c1-2-5-3-4-1;2-1(3)4/h3H,1-2H2,(H,4,5);2H2,(H,3,4)
InChIKeyYWPUOQKBPKDSBI-UHFFFAOYSA-N
XLogP-0.76
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of carbamic acid;4,5-dihydro-1H-imidazole?
The IUPAC name of carbamic acid;4,5-dihydro-1H-imidazole (CID 162035766) is carbamic acid;4,5-dihydro-1H-imidazole.
What is the SMILES notation for carbamic acid;4,5-dihydro-1H-imidazole?
The canonical SMILES for carbamic acid;4,5-dihydro-1H-imidazole is C1=NCCN1.NC(=O)O.
What is the InChIKey of carbamic acid;4,5-dihydro-1H-imidazole?
The InChIKey is YWPUOQKBPKDSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2.CH3NO2/c1-2-5-3-4-1;2-1(3)4/h3H,1-2H2,(H,4,5);2H2,(H,3,4).
What are the key properties of carbamic acid;4,5-dihydro-1H-imidazole?
carbamic acid;4,5-dihydro-1H-imidazole has a molecular weight of 131.13 g/mol, XLogP of -0.76, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;4,5-dihydro-1H-imidazole is sourced from PubChem (CID 162035766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).