1-aminoethenylcarbamic acid

C3H6N2O2 — CID 87700799

IUPAC1-aminoethenylcarbamic acid
SMILESC=C(N)NC(=O)O
InChIInChI=1S/C3H6N2O2/c1-2(4)5-3(6)7/h5H,1,4H2,(H,6,7)
InChIKeyRWUUKTYSTLLADS-UHFFFAOYSA-N
MW102.09 g/mol
LogP-0.32
Rot. Bonds1

About 1-aminoethenylcarbamic acid

1-aminoethenylcarbamic acid (PubChem CID 87700799) has the molecular formula C3H6N2O2 and a molecular weight of 102.09 g/mol. Its IUPAC name is 1-aminoethenylcarbamic acid.

Molecular Properties

Compound Name1-aminoethenylcarbamic acid
PubChem CID87700799
Molecular FormulaC3H6N2O2
Molecular Weight102.09 g/mol
Exact Mass102.04
IUPAC Name1-aminoethenylcarbamic acid
SMILESC=C(N)NC(=O)O
InChIInChI=1S/C3H6N2O2/c1-2(4)5-3(6)7/h5H,1,4H2,(H,6,7)
InChIKeyRWUUKTYSTLLADS-UHFFFAOYSA-N
XLogP-0.32
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

CID 118590953
CID 118590953
carbamoylcarbamic acid;carbamoylurea
CID 15920414
carbamoylcarbamic acid;formonitrile
CID 174795487
(Z)-4-(1-aminoethenylamino)-3-methylpent-3-en-2-one
CID 145026406
carbamic acid;formaldehyde
CID 173133375
1-(1-aminoethenyl)-3-(2-methylpropyl)urea
CID 18721993
acetylene;2-methylidenebutanedioic acid;urea
CID 157377951
carbamoylcarbamic acid;1,3,5-triazinane-2,4,6-trione
CID 67878158
2-aminoprop-2-enamide
CID 3332061
magnesium;carbamic acid;carbanide;bromide
CID 118393524
azane;carbamic acid;ethene
CID 173074759
(diaminomethylideneamino)carbamic acid;hydrate
CID 139065812

Frequently Asked Questions

What is the IUPAC name of 1-aminoethenylcarbamic acid?
The IUPAC name of 1-aminoethenylcarbamic acid (CID 87700799) is 1-aminoethenylcarbamic acid.
What is the SMILES notation for 1-aminoethenylcarbamic acid?
The canonical SMILES for 1-aminoethenylcarbamic acid is C=C(N)NC(=O)O.
What is the InChIKey of 1-aminoethenylcarbamic acid?
The InChIKey is RWUUKTYSTLLADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O2/c1-2(4)5-3(6)7/h5H,1,4H2,(H,6,7).
What are the key properties of 1-aminoethenylcarbamic acid?
1-aminoethenylcarbamic acid has a molecular weight of 102.09 g/mol, XLogP of -0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethenylcarbamic acid is sourced from PubChem (CID 87700799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).