N,N-dibutylcyclopenta-2,4-diene-1-carboxamide

C14H23NO — CID 12995633

IUPACN,N-dibutylcyclopenta-2,4-diene-1-carboxamide
SMILESCCCCN(CCCC)C(=O)C1C=CC=C1
InChIInChI=1S/C14H23NO/c1-3-5-11-15(12-6-4-2)14(16)13-9-7-8-10-13/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyIWQRWYRPNSBUEM-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.16
Rot. Bonds7

About N,N-dibutylcyclopenta-2,4-diene-1-carboxamide

N,N-dibutylcyclopenta-2,4-diene-1-carboxamide (PubChem CID 12995633) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N,N-dibutylcyclopenta-2,4-diene-1-carboxamide.

Molecular Properties

Compound NameN,N-dibutylcyclopenta-2,4-diene-1-carboxamide
PubChem CID12995633
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN,N-dibutylcyclopenta-2,4-diene-1-carboxamide
SMILESCCCCN(CCCC)C(=O)C1C=CC=C1
InChIInChI=1S/C14H23NO/c1-3-5-11-15(12-6-4-2)14(16)13-9-7-8-10-13/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyIWQRWYRPNSBUEM-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethylcyclohepta-2,4,6-triene-1-carboxamide
CID 12672584
4-fluoro-6-methyl-N,N-dipropylcyclohexa-2,4-diene-1-carboxamide
CID 130394049
1-[(3E,5E)-6-fluoro-2-methylhepta-3,5-dienyl]pyrrolidin-2-one
CID 142425647
(3E,5E)-6-fluoro-3-methyl-1-pyrrolidin-1-ylhepta-3,5-dien-1-one
CID 168918340
(3E)-N,N-Diethyl-3-pentenamide
CID 5369259
3-Hexenamide, N,N,2-trimethyl-, (E)-(+/-)-
CID 5366309
(3E,6E)-N,N-diethylocta-3,6-dienamide
CID 10262074
Butdwkjfxqffov-uhfffaoysa-
CID 12590284
(3E)-N,N-diethyl-3-heptenamide
CID 14226602
3-Pentenamide, N,N-diethyl-
CID 567780
1,6-dimethyl-3,6-dihydro-2H-azepin-7-one
CID 18725829
N,N-diethyl-2-methylbut-3-enamide
CID 56988880

Frequently Asked Questions

What is the IUPAC name of N,N-dibutylcyclopenta-2,4-diene-1-carboxamide?
The IUPAC name of N,N-dibutylcyclopenta-2,4-diene-1-carboxamide (CID 12995633) is N,N-dibutylcyclopenta-2,4-diene-1-carboxamide.
What is the SMILES notation for N,N-dibutylcyclopenta-2,4-diene-1-carboxamide?
The canonical SMILES for N,N-dibutylcyclopenta-2,4-diene-1-carboxamide is CCCCN(CCCC)C(=O)C1C=CC=C1.
What is the InChIKey of N,N-dibutylcyclopenta-2,4-diene-1-carboxamide?
The InChIKey is IWQRWYRPNSBUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-5-11-15(12-6-4-2)14(16)13-9-7-8-10-13/h7-10,13H,3-6,11-12H2,1-2H3.
What are the key properties of N,N-dibutylcyclopenta-2,4-diene-1-carboxamide?
N,N-dibutylcyclopenta-2,4-diene-1-carboxamide has a molecular weight of 221.34 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylcyclopenta-2,4-diene-1-carboxamide is sourced from PubChem (CID 12995633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).