N-(1-formamidobutyl)formamide

C6H12N2O2 — CID 23506100

IUPACN-(1-formamidobutyl)formamide
SMILESCCCC(NC=O)NC=O
InChIInChI=1S/C6H12N2O2/c1-2-3-6(7-4-9)8-5-10/h4-6H,2-3H2,1H3,(H,7,9)(H,8,10)
InChIKeyPRNAAMVSUIHQNZ-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.40
Rot. Bonds6

About N-(1-formamidobutyl)formamide

N-(1-formamidobutyl)formamide (PubChem CID 23506100) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is N-(1-formamidobutyl)formamide.

Molecular Properties

Compound NameN-(1-formamidobutyl)formamide
PubChem CID23506100
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC NameN-(1-formamidobutyl)formamide
SMILESCCCC(NC=O)NC=O
InChIInChI=1S/C6H12N2O2/c1-2-3-6(7-4-9)8-5-10/h4-6H,2-3H2,1H3,(H,7,9)(H,8,10)
InChIKeyPRNAAMVSUIHQNZ-UHFFFAOYSA-N
XLogP-0.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-formamidobutyl)formamide?
The IUPAC name of N-(1-formamidobutyl)formamide (CID 23506100) is N-(1-formamidobutyl)formamide.
What is the SMILES notation for N-(1-formamidobutyl)formamide?
The canonical SMILES for N-(1-formamidobutyl)formamide is CCCC(NC=O)NC=O.
What is the InChIKey of N-(1-formamidobutyl)formamide?
The InChIKey is PRNAAMVSUIHQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-3-6(7-4-9)8-5-10/h4-6H,2-3H2,1H3,(H,7,9)(H,8,10).
What are the key properties of N-(1-formamidobutyl)formamide?
N-(1-formamidobutyl)formamide has a molecular weight of 144.17 g/mol, XLogP of -0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-formamidobutyl)formamide is sourced from PubChem (CID 23506100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).