N,N-bis(prop-2-ynyl)formamide

C7H7NO — CID 14358053

IUPACN,N-bis(prop-2-ynyl)formamide
SMILESC#CCN(C=O)CC#C
InChIInChI=1S/C7H7NO/c1-3-5-8(7-9)6-4-2/h1-2,7H,5-6H2
InChIKeyCDAOUFCXKVTXDN-UHFFFAOYSA-N
MW121.14 g/mol
LogP-0.29
Rot. Bonds3

About N,N-bis(prop-2-ynyl)formamide

N,N-bis(prop-2-ynyl)formamide (PubChem CID 14358053) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is N,N-bis(prop-2-ynyl)formamide.

Molecular Properties

Compound NameN,N-bis(prop-2-ynyl)formamide
PubChem CID14358053
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC NameN,N-bis(prop-2-ynyl)formamide
SMILESC#CCN(C=O)CC#C
InChIInChI=1S/C7H7NO/c1-3-5-8(7-9)6-4-2/h1-2,7H,5-6H2
InChIKeyCDAOUFCXKVTXDN-UHFFFAOYSA-N
XLogP-0.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-ynyl)formamide?
The IUPAC name of N,N-bis(prop-2-ynyl)formamide (CID 14358053) is N,N-bis(prop-2-ynyl)formamide.
What is the SMILES notation for N,N-bis(prop-2-ynyl)formamide?
The canonical SMILES for N,N-bis(prop-2-ynyl)formamide is C#CCN(C=O)CC#C.
What is the InChIKey of N,N-bis(prop-2-ynyl)formamide?
The InChIKey is CDAOUFCXKVTXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c1-3-5-8(7-9)6-4-2/h1-2,7H,5-6H2.
What are the key properties of N,N-bis(prop-2-ynyl)formamide?
N,N-bis(prop-2-ynyl)formamide has a molecular weight of 121.14 g/mol, XLogP of -0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-ynyl)formamide is sourced from PubChem (CID 14358053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).