carbamoylcarbamic acid;formonitrile

C3H5N3O3 — CID 174795487

IUPACcarbamoylcarbamic acid;formonitrile
SMILESC#N.NC(=O)NC(=O)O
InChIInChI=1S/C2H4N2O3.CHN/c3-1(5)4-2(6)7;1-2/h(H,6,7)(H3,3,4,5);1H
InChIKeyWIUUSLWQFXXBNU-UHFFFAOYSA-N
MW131.09 g/mol
LogP-0.53
Rot. Bonds

About carbamoylcarbamic acid;formonitrile

carbamoylcarbamic acid;formonitrile (PubChem CID 174795487) has the molecular formula C3H5N3O3 and a molecular weight of 131.09 g/mol. Its IUPAC name is carbamoylcarbamic acid;formonitrile.

Molecular Properties

Compound Namecarbamoylcarbamic acid;formonitrile
PubChem CID174795487
Molecular FormulaC3H5N3O3
Molecular Weight131.09 g/mol
Exact Mass131.03
IUPAC Namecarbamoylcarbamic acid;formonitrile
SMILESC#N.NC(=O)NC(=O)O
InChIInChI=1S/C2H4N2O3.CHN/c3-1(5)4-2(6)7;1-2/h(H,6,7)(H3,3,4,5);1H
InChIKeyWIUUSLWQFXXBNU-UHFFFAOYSA-N
XLogP-0.53
TPSA116.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.09
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

CID 118590953
CID 118590953
carbamoylcarbamic acid;carbamoylurea
CID 15920414
carbamoylcarbamic acid;1,3,5-triazinane-2,4,6-trione
CID 67878158
1-aminoethenylcarbamic acid
CID 87700799
formonitrile;urea;dihydrochloride
CID 174786205
carbamoylcarbamic acid;2-hydroxyethyl prop-2-enoate
CID 87408643
3-(carbamoylamino)-3-oxopropanoic acid
CID 10290858
carbamoylurea;fluoroform
CID 174631914
carbamoylurea;copper;thiourea
CID 175029091
carbamoylcarbamic acid;2-methylpent-2-eneperoxoic acid
CID 174561405
carbamoylurea;isocyanic acid;oxalonitrile
CID 174975080
CID 174966153
CID 174966153

Frequently Asked Questions

What is the IUPAC name of carbamoylcarbamic acid;formonitrile?
The IUPAC name of carbamoylcarbamic acid;formonitrile (CID 174795487) is carbamoylcarbamic acid;formonitrile.
What is the SMILES notation for carbamoylcarbamic acid;formonitrile?
The canonical SMILES for carbamoylcarbamic acid;formonitrile is C#N.NC(=O)NC(=O)O.
What is the InChIKey of carbamoylcarbamic acid;formonitrile?
The InChIKey is WIUUSLWQFXXBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2O3.CHN/c3-1(5)4-2(6)7;1-2/h(H,6,7)(H3,3,4,5);1H.
What are the key properties of carbamoylcarbamic acid;formonitrile?
carbamoylcarbamic acid;formonitrile has a molecular weight of 131.09 g/mol, XLogP of -0.53, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoylcarbamic acid;formonitrile is sourced from PubChem (CID 174795487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).