N,N-bis(3-oxopropyl)formamide

C7H11NO3 — CID 58370866

IUPACN,N-bis(3-oxopropyl)formamide
SMILESO=CCCN(C=O)CCC=O
InChIInChI=1S/C7H11NO3/c9-5-1-3-8(7-11)4-2-6-10/h5-7H,1-4H2
InChIKeyVNNHCCPHJMRIBG-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.38
Rot. Bonds7

About N,N-bis(3-oxopropyl)formamide

N,N-bis(3-oxopropyl)formamide (PubChem CID 58370866) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is N,N-bis(3-oxopropyl)formamide.

Molecular Properties

Compound NameN,N-bis(3-oxopropyl)formamide
PubChem CID58370866
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC NameN,N-bis(3-oxopropyl)formamide
SMILESO=CCCN(C=O)CCC=O
InChIInChI=1S/C7H11NO3/c9-5-1-3-8(7-11)4-2-6-10/h5-7H,1-4H2
InChIKeyVNNHCCPHJMRIBG-UHFFFAOYSA-N
XLogP-0.38
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-oxopropyl)formamide?
The IUPAC name of N,N-bis(3-oxopropyl)formamide (CID 58370866) is N,N-bis(3-oxopropyl)formamide.
What is the SMILES notation for N,N-bis(3-oxopropyl)formamide?
The canonical SMILES for N,N-bis(3-oxopropyl)formamide is O=CCCN(C=O)CCC=O.
What is the InChIKey of N,N-bis(3-oxopropyl)formamide?
The InChIKey is VNNHCCPHJMRIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-5-1-3-8(7-11)4-2-6-10/h5-7H,1-4H2.
What are the key properties of N,N-bis(3-oxopropyl)formamide?
N,N-bis(3-oxopropyl)formamide has a molecular weight of 157.17 g/mol, XLogP of -0.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-oxopropyl)formamide is sourced from PubChem (CID 58370866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).