N-[2-(cyclopenta-1,3-dien-1-ylamino)ethyl]prop-2-enamide

C10H14N2O — CID 102339200

IUPACN-[2-(cyclopenta-1,3-dien-1-ylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCNC1=CC=CC1
InChIInChI=1S/C10H14N2O/c1-2-10(13)12-8-7-11-9-5-3-4-6-9/h2-5,11H,1,6-8H2,(H,12,13)
InChIKeyXRTCYMWERCRZTK-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.72
Rot. Bonds5

About N-[2-(cyclopenta-1,3-dien-1-ylamino)ethyl]prop-2-enamide

N-[2-(cyclopenta-1,3-dien-1-ylamino)ethyl]prop-2-enamide (PubChem CID 102339200) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is N-[2-(cyclopenta-1,3-dien-1-ylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(cyclopenta-1,3-dien-1-ylamino)ethyl]prop-2-enamide
PubChem CID102339200
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC NameN-[2-(cyclopenta-1,3-dien-1-ylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCNC1=CC=CC1
InChIInChI=1S/C10H14N2O/c1-2-10(13)12-8-7-11-9-5-3-4-6-9/h2-5,11H,1,6-8H2,(H,12,13)
InChIKeyXRTCYMWERCRZTK-UHFFFAOYSA-N
XLogP0.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenta-1,3-dien-1-ylamino)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(cyclopenta-1,3-dien-1-ylamino)ethyl]prop-2-enamide (CID 102339200) is N-[2-(cyclopenta-1,3-dien-1-ylamino)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(cyclopenta-1,3-dien-1-ylamino)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(cyclopenta-1,3-dien-1-ylamino)ethyl]prop-2-enamide is C=CC(=O)NCCNC1=CC=CC1.
What is the InChIKey of N-[2-(cyclopenta-1,3-dien-1-ylamino)ethyl]prop-2-enamide?
The InChIKey is XRTCYMWERCRZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-10(13)12-8-7-11-9-5-3-4-6-9/h2-5,11H,1,6-8H2,(H,12,13).
What are the key properties of N-[2-(cyclopenta-1,3-dien-1-ylamino)ethyl]prop-2-enamide?
N-[2-(cyclopenta-1,3-dien-1-ylamino)ethyl]prop-2-enamide has a molecular weight of 178.23 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenta-1,3-dien-1-ylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 102339200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).