1-aminopropylidenecarbamic acid

C4H8N2O2 — CID 54134440

IUPAC1-aminopropylidenecarbamic acid
SMILESCCC(N)=NC(=O)O
InChIInChI=1S/C4H8N2O2/c1-2-3(5)6-4(7)8/h2H2,1H3,(H2,5,6)(H,7,8)
InChIKeyNWRDKYSFVRHZLC-UHFFFAOYSA-N
MW116.12 g/mol
LogP0.43
Rot. Bonds1

About 1-aminopropylidenecarbamic acid

1-aminopropylidenecarbamic acid (PubChem CID 54134440) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 1-aminopropylidenecarbamic acid.

Molecular Properties

Compound Name1-aminopropylidenecarbamic acid
PubChem CID54134440
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name1-aminopropylidenecarbamic acid
SMILESCCC(N)=NC(=O)O
InChIInChI=1S/C4H8N2O2/c1-2-3(5)6-4(7)8/h2H2,1H3,(H2,5,6)(H,7,8)
InChIKeyNWRDKYSFVRHZLC-UHFFFAOYSA-N
XLogP0.43
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

propanoic acid;urea
CID 22102181
propanoic acid;dihydrofluoride
CID 173419874
(butan-2-ylideneamino) carbamate
CID 54343836
N'-propanimidoylpropanimidamide
CID 58804639
methane;propanamide
CID 160666730
azane;propanoic acid;hydrofluoride
CID 174943472
CID 91279808
CID 91279808
ethyl carbamate;propanoic acid
CID 158069728
N-(1-aminopropylidene)carbamimidoyl chloride
CID 90999184
2-(1-aminopropylideneamino)butanamide
CID 131227217
(1-amino-3-oxobutylidene)urea
CID 123425650
dilithium;propanoic acid;dicarbamothioate
CID 173417261

Frequently Asked Questions

What is the IUPAC name of 1-aminopropylidenecarbamic acid?
The IUPAC name of 1-aminopropylidenecarbamic acid (CID 54134440) is 1-aminopropylidenecarbamic acid.
What is the SMILES notation for 1-aminopropylidenecarbamic acid?
The canonical SMILES for 1-aminopropylidenecarbamic acid is CCC(N)=NC(=O)O.
What is the InChIKey of 1-aminopropylidenecarbamic acid?
The InChIKey is NWRDKYSFVRHZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-2-3(5)6-4(7)8/h2H2,1H3,(H2,5,6)(H,7,8).
What are the key properties of 1-aminopropylidenecarbamic acid?
1-aminopropylidenecarbamic acid has a molecular weight of 116.12 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropylidenecarbamic acid is sourced from PubChem (CID 54134440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).